5-amino-4H-imidazole-2-carboxamide

C4H6N4O — CID 158234047

IUPAC5-amino-4H-imidazole-2-carboxamide
SMILESNC(=O)C1=NCC(N)=N1
InChIInChI=1S/C4H6N4O/c5-2-1-7-4(8-2)3(6)9/h1H2,(H2,6,9)(H2,5,7,8)
InChIKeyGESWWAOBRXWTMK-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.76
Rot. Bonds1

About 5-amino-4H-imidazole-2-carboxamide

5-amino-4H-imidazole-2-carboxamide (PubChem CID 158234047) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 5-amino-4H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-4H-imidazole-2-carboxamide
PubChem CID158234047
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name5-amino-4H-imidazole-2-carboxamide
SMILESNC(=O)C1=NCC(N)=N1
InChIInChI=1S/C4H6N4O/c5-2-1-7-4(8-2)3(6)9/h1H2,(H2,6,9)(H2,5,7,8)
InChIKeyGESWWAOBRXWTMK-UHFFFAOYSA-N
XLogP-1.76
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Aminoethylideneamino)acetamide
CID 63173286
4H-imidazole-2-carboxamide
CID 67837227
2-[[Amino-(diaminomethylideneamino)methylidene]amino]acetamide
CID 83032126

Frequently Asked Questions

What is the IUPAC name of 5-amino-4H-imidazole-2-carboxamide?
The IUPAC name of 5-amino-4H-imidazole-2-carboxamide (CID 158234047) is 5-amino-4H-imidazole-2-carboxamide.
What is the SMILES notation for 5-amino-4H-imidazole-2-carboxamide?
The canonical SMILES for 5-amino-4H-imidazole-2-carboxamide is NC(=O)C1=NCC(N)=N1.
What is the InChIKey of 5-amino-4H-imidazole-2-carboxamide?
The InChIKey is GESWWAOBRXWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-2-1-7-4(8-2)3(6)9/h1H2,(H2,6,9)(H2,5,7,8).
What are the key properties of 5-amino-4H-imidazole-2-carboxamide?
5-amino-4H-imidazole-2-carboxamide has a molecular weight of 126.12 g/mol, XLogP of -1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4H-imidazole-2-carboxamide is sourced from PubChem (CID 158234047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).