1-benzyltriazol-4-amine;hydrochloride

C9H11ClN4 — CID 75467587

IUPAC1-benzyltriazol-4-amine;hydrochloride
SMILESCl.Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C9H10N4.ClH/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8;/h1-5,7H,6,10H2;1H
InChIKeyUMCXRTLSNDOUAI-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.33
Rot. Bonds2

About 1-benzyltriazol-4-amine;hydrochloride

1-benzyltriazol-4-amine;hydrochloride (PubChem CID 75467587) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 1-benzyltriazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-benzyltriazol-4-amine;hydrochloride
PubChem CID75467587
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name1-benzyltriazol-4-amine;hydrochloride
SMILESCl.Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C9H10N4.ClH/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8;/h1-5,7H,6,10H2;1H
InChIKeyUMCXRTLSNDOUAI-UHFFFAOYSA-N
XLogP1.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyltriazol-4-amine;hydrochloride?
The IUPAC name of 1-benzyltriazol-4-amine;hydrochloride (CID 75467587) is 1-benzyltriazol-4-amine;hydrochloride.
What is the SMILES notation for 1-benzyltriazol-4-amine;hydrochloride?
The canonical SMILES for 1-benzyltriazol-4-amine;hydrochloride is Cl.Nc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyltriazol-4-amine;hydrochloride?
The InChIKey is UMCXRTLSNDOUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.ClH/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8;/h1-5,7H,6,10H2;1H.
What are the key properties of 1-benzyltriazol-4-amine;hydrochloride?
1-benzyltriazol-4-amine;hydrochloride has a molecular weight of 210.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyltriazol-4-amine;hydrochloride is sourced from PubChem (CID 75467587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).