2,4-diamino-1H-imidazole-5-carboxylic acid

C4H6N4O2 — CID 67941525

IUPAC2,4-diamino-1H-imidazole-5-carboxylic acid
SMILESNc1nc(N)c(C(=O)O)[nH]1
InChIInChI=1S/C4H6N4O2/c5-2-1(3(9)10)7-4(6)8-2/h5H2,(H,9,10)(H3,6,7,8)
InChIKeyMVSSBPMHBAPSFI-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.73
Rot. Bonds1

About 2,4-diamino-1H-imidazole-5-carboxylic acid

2,4-diamino-1H-imidazole-5-carboxylic acid (PubChem CID 67941525) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2,4-diamino-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-diamino-1H-imidazole-5-carboxylic acid
PubChem CID67941525
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2,4-diamino-1H-imidazole-5-carboxylic acid
SMILESNc1nc(N)c(C(=O)O)[nH]1
InChIInChI=1S/C4H6N4O2/c5-2-1(3(9)10)7-4(6)8-2/h5H2,(H,9,10)(H3,6,7,8)
InChIKeyMVSSBPMHBAPSFI-UHFFFAOYSA-N
XLogP-0.73
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2,4-diamino-1H-imidazole-5-carboxylic acid (CID 67941525) is 2,4-diamino-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2,4-diamino-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2,4-diamino-1H-imidazole-5-carboxylic acid is Nc1nc(N)c(C(=O)O)[nH]1.
What is the InChIKey of 2,4-diamino-1H-imidazole-5-carboxylic acid?
The InChIKey is MVSSBPMHBAPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-2-1(3(9)10)7-4(6)8-2/h5H2,(H,9,10)(H3,6,7,8).
What are the key properties of 2,4-diamino-1H-imidazole-5-carboxylic acid?
2,4-diamino-1H-imidazole-5-carboxylic acid has a molecular weight of 142.12 g/mol, XLogP of -0.73, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 67941525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).