N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride

C10H13ClN4 — CID 54594671

IUPACN-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCNCc1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C10H12N4.ClH/c1-11-7-9-8-12-14(13-9)10-5-3-2-4-6-10;/h2-6,8,11H,7H2,1H3;1H
InChIKeyJRCRIHQNUHYEIE-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride

N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 54594671) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
PubChem CID54594671
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC NameN-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCNCc1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C10H12N4.ClH/c1-11-7-9-8-12-14(13-9)10-5-3-2-4-6-10;/h2-6,8,11H,7H2,1H3;1H
InChIKeyJRCRIHQNUHYEIE-UHFFFAOYSA-N
XLogP1.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride (CID 54594671) is N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride is CNCc1cnn(-c2ccccc2)n1.Cl.
What is the InChIKey of N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is JRCRIHQNUHYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c1-11-7-9-8-12-14(13-9)10-5-3-2-4-6-10;/h2-6,8,11H,7H2,1H3;1H.
What are the key properties of N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride?
N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 54594671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).