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CAS 21299-72-9 4-AMINO-5-IMIDAZOLECARBOXAMIDE molecular structure lightbox
CAS RN: 21299-72-9

4-AMINO-5-IMIDAZOLECARBOXAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS21299-72-9
  • Purity/Analytical Methods: >99.0%
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21299-72-9 / 4-amino-1H-imidazole-5-carboxamide

Standard CAS: 21299-72-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21299-72-9
Multi CAS
No
Molecular Formula
C4H6N4O
Molecular Weight
126.120000
Exact Mass
126.054161
SMILES
C1=NC(=C(N1)C(=O)N)N
InChI
InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChIKey
DVNYTAVYBRSTGK-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.52
TPSA
97.79

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.5
Consensus LogP
-0.74
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.15
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13

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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