2H-triazole-4-carboximidamide;hydrochloride

C3H6ClN5 — CID 136981736

IUPAC2H-triazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cn[nH]n1
InChIInChI=1S/C3H5N5.ClH/c4-3(5)2-1-6-8-7-2;/h1H,(H3,4,5)(H,6,7,8);1H
InChIKeyCKULSTXUOJQJIZ-UHFFFAOYSA-N
MW147.57 g/mol
LogP-0.49
Rot. Bonds1

About 2H-triazole-4-carboximidamide;hydrochloride

2H-triazole-4-carboximidamide;hydrochloride (PubChem CID 136981736) has the molecular formula C3H6ClN5 and a molecular weight of 147.57 g/mol. Its IUPAC name is 2H-triazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2H-triazole-4-carboximidamide;hydrochloride
PubChem CID136981736
Molecular FormulaC3H6ClN5
Molecular Weight147.57 g/mol
Exact Mass147.03
IUPAC Name2H-triazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cn[nH]n1
InChIInChI=1S/C3H5N5.ClH/c4-3(5)2-1-6-8-7-2;/h1H,(H3,4,5)(H,6,7,8);1H
InChIKeyCKULSTXUOJQJIZ-UHFFFAOYSA-N
XLogP-0.49
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H-triazole-4-carbohydrazide
CID 50989778
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
pyridine-2,6-dicarboximidamide
CID 23373306
1H-imidazole-2-carboxamide;2H-triazole-4-carboxamide
CID 135318727
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
magnesium bis(2H-triazole-4-carboxylate)
CID 170158138
2-hydroxy-1-(2H-triazol-4-yl)ethanethione
CID 91308743
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
CID 78968249
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone
CID 63283420
2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride
CID 66769369
triazine-4-carboximidamide
CID 154182712

Frequently Asked Questions

What is the IUPAC name of 2H-triazole-4-carboximidamide;hydrochloride?
The IUPAC name of 2H-triazole-4-carboximidamide;hydrochloride (CID 136981736) is 2H-triazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 2H-triazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 2H-triazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cn[nH]n1.
What is the InChIKey of 2H-triazole-4-carboximidamide;hydrochloride?
The InChIKey is CKULSTXUOJQJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5.ClH/c4-3(5)2-1-6-8-7-2;/h1H,(H3,4,5)(H,6,7,8);1H.
What are the key properties of 2H-triazole-4-carboximidamide;hydrochloride?
2H-triazole-4-carboximidamide;hydrochloride has a molecular weight of 147.57 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole-4-carboximidamide;hydrochloride is sourced from PubChem (CID 136981736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).