5-amino-1-methylimidazole-4-carboxamide;hydrochloride

C5H9ClN4O — CID 73011411

IUPAC5-amino-1-methylimidazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cnc(C(N)=O)c1N
InChIInChI=1S/C5H8N4O.ClH/c1-9-2-8-3(4(9)6)5(7)10;/h2H,6H2,1H3,(H2,7,10);1H
InChIKeyPILGHUGPYWTTNG-UHFFFAOYSA-N
MW176.61 g/mol
LogP-0.48
Rot. Bonds1

About 5-amino-1-methylimidazole-4-carboxamide;hydrochloride

5-amino-1-methylimidazole-4-carboxamide;hydrochloride (PubChem CID 73011411) has the molecular formula C5H9ClN4O and a molecular weight of 176.61 g/mol. Its IUPAC name is 5-amino-1-methylimidazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-1-methylimidazole-4-carboxamide;hydrochloride
PubChem CID73011411
Molecular FormulaC5H9ClN4O
Molecular Weight176.61 g/mol
Exact Mass176.05
IUPAC Name5-amino-1-methylimidazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cnc(C(N)=O)c1N
InChIInChI=1S/C5H8N4O.ClH/c1-9-2-8-3(4(9)6)5(7)10;/h2H,6H2,1H3,(H2,7,10);1H
InChIKeyPILGHUGPYWTTNG-UHFFFAOYSA-N
XLogP-0.48
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylimidazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-amino-1-methylimidazole-4-carboxamide;hydrochloride (CID 73011411) is 5-amino-1-methylimidazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-1-methylimidazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-1-methylimidazole-4-carboxamide;hydrochloride is Cl.Cn1cnc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-methylimidazole-4-carboxamide;hydrochloride?
The InChIKey is PILGHUGPYWTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.ClH/c1-9-2-8-3(4(9)6)5(7)10;/h2H,6H2,1H3,(H2,7,10);1H.
What are the key properties of 5-amino-1-methylimidazole-4-carboxamide;hydrochloride?
5-amino-1-methylimidazole-4-carboxamide;hydrochloride has a molecular weight of 176.61 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylimidazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 73011411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).