4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide

C7H10N4O — CID 19784167

IUPAC4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide
SMILESC=CCNC(=O)c1[nH]cnc1N
InChIInChI=1S/C7H10N4O/c1-2-3-9-7(12)5-6(8)11-4-10-5/h2,4H,1,3,8H2,(H,9,12)(H,10,11)
InChIKeyRODUTQDZWRFYNY-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.09
Rot. Bonds3

About 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide

4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide (PubChem CID 19784167) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide
PubChem CID19784167
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide
SMILESC=CCNC(=O)c1[nH]cnc1N
InChIInChI=1S/C7H10N4O/c1-2-3-9-7(12)5-6(8)11-4-10-5/h2,4H,1,3,8H2,(H,9,12)(H,10,11)
InChIKeyRODUTQDZWRFYNY-UHFFFAOYSA-N
XLogP-0.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide (CID 19784167) is 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide is C=CCNC(=O)c1[nH]cnc1N.
What is the InChIKey of 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide?
The InChIKey is RODUTQDZWRFYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-3-9-7(12)5-6(8)11-4-10-5/h2,4H,1,3,8H2,(H,9,12)(H,10,11).
What are the key properties of 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide?
4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-prop-2-enyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 19784167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).