CAS RN: 291307-12-5

Methanehydrazonamide, N-[(dimethylamino)methylene]-N,N-dimethyl-

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291307-12-5 / N'-(dimethylaminomethylideneamino)-N,N-dimethylmethanimidamide

Standard CAS: 291307-12-5 Multi CAS: Yes

Basic Information

CAS
291307-12-5
Multi CAS
Yes
Molecular Formula
C6H14N4
Molecular Weight
142.200000
Exact Mass
142.121846
InChI
InChI=1S/C6H14N4/c1-9(2)5-7-8-6-10(3)4/h5-6H,1-4H3
InChIKey
AYTAYKXVFZPRAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
44.36
TPSA
31.2

LogP / Solubility

WLOGP
0.08
MLOGP
0.06
Consensus LogP
0.05
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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