1,5-diaminoimidazole-4-carboxamide

C4H7N5O — CID 55289847

IUPAC1,5-diaminoimidazole-4-carboxamide
SMILESNC(=O)c1ncn(N)c1N
InChIInChI=1S/C4H7N5O/c5-3-2(4(6)10)8-1-9(3)7/h1H,5,7H2,(H2,6,10)
InChIKeyXRMFKATYCLADAW-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.72
Rot. Bonds1

About 1,5-diaminoimidazole-4-carboxamide

1,5-diaminoimidazole-4-carboxamide (PubChem CID 55289847) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,5-diaminoimidazole-4-carboxamide.

Molecular Properties

Compound Name1,5-diaminoimidazole-4-carboxamide
PubChem CID55289847
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name1,5-diaminoimidazole-4-carboxamide
SMILESNC(=O)c1ncn(N)c1N
InChIInChI=1S/C4H7N5O/c5-3-2(4(6)10)8-1-9(3)7/h1H,5,7H2,(H2,6,10)
InChIKeyXRMFKATYCLADAW-UHFFFAOYSA-N
XLogP-1.72
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-diaminoimidazole-4-carboxamide?
The IUPAC name of 1,5-diaminoimidazole-4-carboxamide (CID 55289847) is 1,5-diaminoimidazole-4-carboxamide.
What is the SMILES notation for 1,5-diaminoimidazole-4-carboxamide?
The canonical SMILES for 1,5-diaminoimidazole-4-carboxamide is NC(=O)c1ncn(N)c1N.
What is the InChIKey of 1,5-diaminoimidazole-4-carboxamide?
The InChIKey is XRMFKATYCLADAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-3-2(4(6)10)8-1-9(3)7/h1H,5,7H2,(H2,6,10).
What are the key properties of 1,5-diaminoimidazole-4-carboxamide?
1,5-diaminoimidazole-4-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminoimidazole-4-carboxamide is sourced from PubChem (CID 55289847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).