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

C4H8N4O — CID 126708419

IUPAC5-amino-4,5-dihydro-1H-imidazole-4-carboxamide
SMILESNC(=O)C1N=CNC1N
InChIInChI=1S/C4H8N4O/c5-3-2(4(6)9)7-1-8-3/h1-3H,5H2,(H2,6,9)(H,7,8)
InChIKeyPOSBZVKJXXLRPW-UHFFFAOYSA-N
MW128.13 g/mol
LogP-2.24
Rot. Bonds1

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

5-amino-4,5-dihydro-1H-imidazole-4-carboxamide (PubChem CID 126708419) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-4,5-dihydro-1H-imidazole-4-carboxamide
PubChem CID126708419
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name5-amino-4,5-dihydro-1H-imidazole-4-carboxamide
SMILESNC(=O)C1N=CNC1N
InChIInChI=1S/C4H8N4O/c5-3-2(4(6)9)7-1-8-3/h1-3H,5H2,(H2,6,9)(H,7,8)
InChIKeyPOSBZVKJXXLRPW-UHFFFAOYSA-N
XLogP-2.24
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide?
The IUPAC name of 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide (CID 126708419) is 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide is NC(=O)C1N=CNC1N.
What is the InChIKey of 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide?
The InChIKey is POSBZVKJXXLRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-3-2(4(6)9)7-1-8-3/h1-3H,5H2,(H2,6,9)(H,7,8).
What are the key properties of 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide?
5-amino-4,5-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 128.13 g/mol, XLogP of -2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,5-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 126708419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).