5-amino-1-methyltriazole-4-carboximidamide;hydrochloride

C4H9ClN6 — CID 136981735

IUPAC5-amino-1-methyltriazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nnn(C)c1N
InChIInChI=1S/C4H8N6.ClH/c1-10-4(7)2(3(5)6)8-9-10;/h7H2,1H3,(H3,5,6);1H
InChIKeyUDEXJXDQSAIHSF-UHFFFAOYSA-N
MW176.61 g/mol
LogP-0.90
Rot. Bonds1

About 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride

5-amino-1-methyltriazole-4-carboximidamide;hydrochloride (PubChem CID 136981735) has the molecular formula C4H9ClN6 and a molecular weight of 176.61 g/mol. Its IUPAC name is 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-amino-1-methyltriazole-4-carboximidamide;hydrochloride
PubChem CID136981735
Molecular FormulaC4H9ClN6
Molecular Weight176.61 g/mol
Exact Mass176.06
IUPAC Name5-amino-1-methyltriazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nnn(C)c1N
InChIInChI=1S/C4H8N6.ClH/c1-10-4(7)2(3(5)6)8-9-10;/h7H2,1H3,(H3,5,6);1H
InChIKeyUDEXJXDQSAIHSF-UHFFFAOYSA-N
XLogP-0.90
TPSA106.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride?
The IUPAC name of 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride (CID 136981735) is 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nnn(C)c1N.
What is the InChIKey of 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride?
The InChIKey is UDEXJXDQSAIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6.ClH/c1-10-4(7)2(3(5)6)8-9-10;/h7H2,1H3,(H3,5,6);1H.
What are the key properties of 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride?
5-amino-1-methyltriazole-4-carboximidamide;hydrochloride has a molecular weight of 176.61 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyltriazole-4-carboximidamide;hydrochloride is sourced from PubChem (CID 136981735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).