1H-imidazole-5-carbohydrazide;hydrochloride

C4H7ClN4O — CID 141069695

IUPAC1H-imidazole-5-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cnc[nH]1
InChIInChI=1S/C4H6N4O.ClH/c5-8-4(9)3-1-6-2-7-3;/h1-2H,5H2,(H,6,7)(H,8,9);1H
InChIKeyQQXUXKHALDRYBC-UHFFFAOYSA-N
MW162.58 g/mol
LogP-0.56
Rot. Bonds1

About 1H-imidazole-5-carbohydrazide;hydrochloride

1H-imidazole-5-carbohydrazide;hydrochloride (PubChem CID 141069695) has the molecular formula C4H7ClN4O and a molecular weight of 162.58 g/mol. Its IUPAC name is 1H-imidazole-5-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name1H-imidazole-5-carbohydrazide;hydrochloride
PubChem CID141069695
Molecular FormulaC4H7ClN4O
Molecular Weight162.58 g/mol
Exact Mass162.03
IUPAC Name1H-imidazole-5-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cnc[nH]1
InChIInChI=1S/C4H6N4O.ClH/c5-8-4(9)3-1-6-2-7-3;/h1-2H,5H2,(H,6,7)(H,8,9);1H
InChIKeyQQXUXKHALDRYBC-UHFFFAOYSA-N
XLogP-0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-5-yl)-3-oxopropanamide
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N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
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N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
CID 89269736
methyl 1H-imidazole-5-carboxylate;hydrochloride
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N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
CID 115310453
1H-imidazole-5-carboxylic acid;dihydrate
CID 140542846
bis(1H-imidazole-5-carboxylic acid);manganese
CID 134691385
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089
N-(3-methoxypropyl)-1H-imidazole-5-carboxamide
CID 110684258
N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
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CID 110684342

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-5-carbohydrazide;hydrochloride?
The IUPAC name of 1H-imidazole-5-carbohydrazide;hydrochloride (CID 141069695) is 1H-imidazole-5-carbohydrazide;hydrochloride.
What is the SMILES notation for 1H-imidazole-5-carbohydrazide;hydrochloride?
The canonical SMILES for 1H-imidazole-5-carbohydrazide;hydrochloride is Cl.NNC(=O)c1cnc[nH]1.
What is the InChIKey of 1H-imidazole-5-carbohydrazide;hydrochloride?
The InChIKey is QQXUXKHALDRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.ClH/c5-8-4(9)3-1-6-2-7-3;/h1-2H,5H2,(H,6,7)(H,8,9);1H.
What are the key properties of 1H-imidazole-5-carbohydrazide;hydrochloride?
1H-imidazole-5-carbohydrazide;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-5-carbohydrazide;hydrochloride is sourced from PubChem (CID 141069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).