4-amino-1H-imidazole-5-carboxamide

C4H6N4O — CID 9679

IUPAC4-amino-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1N
InChIInChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChIKeyDVNYTAVYBRSTGK-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.91
Rot. Bonds1

About 4-amino-1H-imidazole-5-carboxamide

4-amino-1H-imidazole-5-carboxamide (PubChem CID 9679) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 4-amino-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1H-imidazole-5-carboxamide
PubChem CID9679
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name4-amino-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1N
InChIInChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChIKeyDVNYTAVYBRSTGK-UHFFFAOYSA-N
XLogP-0.91
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Theophylline
CID 2153
Guanine
CID 135398634
Xanthine
CID 1188
Hypoxanthine
CID 135398638
Dacarbazine
CID 135398738
1-Methylxanthine
CID 80220
3-Methylxanthine
CID 70639
7-Methylguanine
CID 135398679
6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CID 135436483
1H-imidazole-5-carboxamide
CID 152917
1-Methylguanine
CID 70315
CID 790
CID 790

Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-imidazole-5-carboxamide?
The IUPAC name of 4-amino-1H-imidazole-5-carboxamide (CID 9679) is 4-amino-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-amino-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-amino-1H-imidazole-5-carboxamide is NC(=O)c1[nH]cnc1N.
What is the InChIKey of 4-amino-1H-imidazole-5-carboxamide?
The InChIKey is DVNYTAVYBRSTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8).
What are the key properties of 4-amino-1H-imidazole-5-carboxamide?
4-amino-1H-imidazole-5-carboxamide has a molecular weight of 126.12 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-imidazole-5-carboxamide is sourced from PubChem (CID 9679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).