3-methyltriazole-4-carboximidamide;hydrochloride

C4H8ClN5 — CID 175806610

IUPAC3-methyltriazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cnnn1C
InChIInChI=1S/C4H7N5.ClH/c1-9-3(4(5)6)2-7-8-9;/h2H,1H3,(H3,5,6);1H
InChIKeyVSLSPICDISUHGP-UHFFFAOYSA-N
MW161.60 g/mol
LogP-0.48
Rot. Bonds1

About 3-methyltriazole-4-carboximidamide;hydrochloride

3-methyltriazole-4-carboximidamide;hydrochloride (PubChem CID 175806610) has the molecular formula C4H8ClN5 and a molecular weight of 161.60 g/mol. Its IUPAC name is 3-methyltriazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methyltriazole-4-carboximidamide;hydrochloride
PubChem CID175806610
Molecular FormulaC4H8ClN5
Molecular Weight161.60 g/mol
Exact Mass161.05
IUPAC Name3-methyltriazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cnnn1C
InChIInChI=1S/C4H7N5.ClH/c1-9-3(4(5)6)2-7-8-9;/h2H,1H3,(H3,5,6);1H
InChIKeyVSLSPICDISUHGP-UHFFFAOYSA-N
XLogP-0.48
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.60
LogP ≤ 5-0.48
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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Frequently Asked Questions

What is the IUPAC name of 3-methyltriazole-4-carboximidamide;hydrochloride?
The IUPAC name of 3-methyltriazole-4-carboximidamide;hydrochloride (CID 175806610) is 3-methyltriazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methyltriazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 3-methyltriazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cnnn1C.
What is the InChIKey of 3-methyltriazole-4-carboximidamide;hydrochloride?
The InChIKey is VSLSPICDISUHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5.ClH/c1-9-3(4(5)6)2-7-8-9;/h2H,1H3,(H3,5,6);1H.
What are the key properties of 3-methyltriazole-4-carboximidamide;hydrochloride?
3-methyltriazole-4-carboximidamide;hydrochloride has a molecular weight of 161.60 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 3-methyltriazole-4-carboximidamide;hydrochloride is sourced from PubChem (CID 175806610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).