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CAS 1870018-67-9 1-(Pyrazin-2-yl)cyclopentane-1-carbonitrile molecular structure lightbox
CAS RN: 1870018-67-9

1-(Pyrazin-2-yl)cyclopentane-1-carbonitrile

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Batchno.20251115 100mg / 1g Out of stock 5-7 business days Inquiry
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1870018-67-9 / 1-pyrazin-2-ylcyclopentane-1-carbonitrile

1-(pyrazin-2-yl)cyclopentane-1-carbonitrile | 1-pyrazin-2-ylcyclopentane-1-carbonitrile | EN300-396817

Standard CAS: 1870018-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1870018-67-9
Multi CAS
No
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
SMILES
C1CCC(C1)(C#N)C2=NC=CN=C2
InChI
InChI=1S/C10H11N3/c11-8-10(3-1-2-4-10)9-7-12-5-6-13-9/h5-7H,1-4H2
InChIKey
LGBASFOENNEZTA-UHFFFAOYSA-N
Synonyms
1-(pyrazin-2-yl)cyclopentane-1-carbonitrile 1-pyrazin-2-ylcyclopentane-1-carbonitrile EN300-396817 G82510 F555171

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.79
TPSA
49.57

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
0.9
Consensus LogP
1.43
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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