triazole-2-carboximidamide;hydrochloride

C3H6ClN5 — CID 130367054

IUPACtriazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nccn1
InChIInChI=1S/C3H5N5.ClH/c4-3(5)8-6-1-2-7-8;/h1-2H,(H3,4,5);1H
InChIKeyUCCFRLMNIZMNLQ-UHFFFAOYSA-N
MW147.57 g/mol
LogP-0.56
Rot. Bonds

About triazole-2-carboximidamide;hydrochloride

triazole-2-carboximidamide;hydrochloride (PubChem CID 130367054) has the molecular formula C3H6ClN5 and a molecular weight of 147.57 g/mol. Its IUPAC name is triazole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Nametriazole-2-carboximidamide;hydrochloride
PubChem CID130367054
Molecular FormulaC3H6ClN5
Molecular Weight147.57 g/mol
Exact Mass147.03
IUPAC Nametriazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nccn1
InChIInChI=1S/C3H5N5.ClH/c4-3(5)8-6-1-2-7-8;/h1-2H,(H3,4,5);1H
InChIKeyUCCFRLMNIZMNLQ-UHFFFAOYSA-N
XLogP-0.56
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

triazole-2-carboximidamide
CID 130367055
5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
triazole-1-carboximidamide;hydrochloride
CID 18519220
2-(triazol-2-yl)ethanimidamide
CID 136575903
oxaziridine-2-carboximidamide;hydrochloride
CID 87822275
ethanediimidamide;trihydrochloride
CID 139639987
oxaziridine-2-carboximidamide
CID 87822276
4-iminopyridine-1-carboximidamide
CID 154146981
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
CID 82240525
5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
CID 21495087
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
CID 19382678
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935

Frequently Asked Questions

What is the IUPAC name of triazole-2-carboximidamide;hydrochloride?
The IUPAC name of triazole-2-carboximidamide;hydrochloride (CID 130367054) is triazole-2-carboximidamide;hydrochloride.
What is the SMILES notation for triazole-2-carboximidamide;hydrochloride?
The canonical SMILES for triazole-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1nccn1.
What is the InChIKey of triazole-2-carboximidamide;hydrochloride?
The InChIKey is UCCFRLMNIZMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5.ClH/c4-3(5)8-6-1-2-7-8;/h1-2H,(H3,4,5);1H.
What are the key properties of triazole-2-carboximidamide;hydrochloride?
triazole-2-carboximidamide;hydrochloride has a molecular weight of 147.57 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 130367054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).