[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine

C17H18N4 — CID 82198294

IUPAC[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
SMILESCc1ccccc1-n1nnc(CN)c1Cc1ccccc1
InChIInChI=1S/C17H18N4/c1-13-7-5-6-10-16(13)21-17(15(12-18)19-20-21)11-14-8-3-2-4-9-14/h2-10H,11-12,18H2,1H3
InChIKeyLSOWBMBWTAGTJZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.63
Rot. Bonds4

About [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine

[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82198294) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
PubChem CID82198294
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
SMILESCc1ccccc1-n1nnc(CN)c1Cc1ccccc1
InChIInChI=1S/C17H18N4/c1-13-7-5-6-10-16(13)21-17(15(12-18)19-20-21)11-14-8-3-2-4-9-14/h2-10H,11-12,18H2,1H3
InChIKeyLSOWBMBWTAGTJZ-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 105488482
5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine
CID 164681821
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
(5-benzyl-1-prop-2-enyltriazol-4-yl)methanamine
CID 82204740
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine (CID 82198294) is [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine is Cc1ccccc1-n1nnc(CN)c1Cc1ccccc1.
What is the InChIKey of [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is LSOWBMBWTAGTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-7-5-6-10-16(13)21-17(15(12-18)19-20-21)11-14-8-3-2-4-9-14/h2-10H,11-12,18H2,1H3.
What are the key properties of [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine?
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).