N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride

C5H8ClN5O — CID 57401494

IUPACN-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cnc[nH]1
InChIInChI=1S/C5H7N5O.ClH/c6-5(7)10-4(11)3-1-8-2-9-3;/h1-2H,(H,8,9)(H4,6,7,10,11);1H
InChIKeyAGWYXKZTLVJNOE-UHFFFAOYSA-N
MW189.61 g/mol
LogP-0.75
Rot. Bonds1

About N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride

N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride (PubChem CID 57401494) has the molecular formula C5H8ClN5O and a molecular weight of 189.61 g/mol. Its IUPAC name is N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride
PubChem CID57401494
Molecular FormulaC5H8ClN5O
Molecular Weight189.61 g/mol
Exact Mass189.04
IUPAC NameN-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cnc[nH]1
InChIInChI=1S/C5H7N5O.ClH/c6-5(7)10-4(11)3-1-8-2-9-3;/h1-2H,(H,8,9)(H4,6,7,10,11);1H
InChIKeyAGWYXKZTLVJNOE-UHFFFAOYSA-N
XLogP-0.75
TPSA110.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride (CID 57401494) is N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1cnc[nH]1.
What is the InChIKey of N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride?
The InChIKey is AGWYXKZTLVJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O.ClH/c6-5(7)10-4(11)3-1-8-2-9-3;/h1-2H,(H,8,9)(H4,6,7,10,11);1H.
What are the key properties of N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride?
N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 57401494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).