(5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride

C10H13ClN4 — CID 133054194

IUPAC(5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCc1nn(-c2ccccc2)nc1CN.Cl
InChIInChI=1S/C10H12N4.ClH/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9;/h2-6H,7,11H2,1H3;1H
InChIKeyIUVQFDROKSMNLA-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.46
Rot. Bonds2

About (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride

(5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 133054194) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride
PubChem CID133054194
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name(5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride
SMILESCc1nn(-c2ccccc2)nc1CN.Cl
InChIInChI=1S/C10H12N4.ClH/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9;/h2-6H,7,11H2,1H3;1H
InChIKeyIUVQFDROKSMNLA-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]methanesulfonamide
CID 2738927
(E)-3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazole
CID 199053
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
4,5-Dimethyl-2-phenyl-1,2,3-triazol-1-oxide
CID 12921197
2-Phenyl-2,4,5,6-tetrahydrocyclopenta-1,2,3-triazole
CID 15421899
(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 2776450
4-(Chloromethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
CID 338434
4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
CID 338710
methyl((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 54594671
2-(2H-1,2,3-triazol-2-yl)aniline hydrochloride
CID 126796933
5-methyl-2-phenyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 137971716

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride (CID 133054194) is (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride is Cc1nn(-c2ccccc2)nc1CN.Cl.
What is the InChIKey of (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is IUVQFDROKSMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9;/h2-6H,7,11H2,1H3;1H.
What are the key properties of (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride?
(5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 133054194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).