(1,5-dibenzyltriazol-4-yl)methanamine

C17H18N4 — CID 82203152

IUPAC(1,5-dibenzyltriazol-4-yl)methanamine
SMILESNCc1nnn(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C17H18N4/c18-12-16-17(11-14-7-3-1-4-8-14)21(20-19-16)13-15-9-5-2-6-10-15/h1-10H,11-13,18H2
InChIKeyYYPUPRLYFBQQJX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.38
Rot. Bonds5

About (1,5-dibenzyltriazol-4-yl)methanamine

(1,5-dibenzyltriazol-4-yl)methanamine (PubChem CID 82203152) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1,5-dibenzyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,5-dibenzyltriazol-4-yl)methanamine
PubChem CID82203152
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name(1,5-dibenzyltriazol-4-yl)methanamine
SMILESNCc1nnn(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C17H18N4/c18-12-16-17(11-14-7-3-1-4-8-14)21(20-19-16)13-15-9-5-2-6-10-15/h1-10H,11-13,18H2
InChIKeyYYPUPRLYFBQQJX-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
(5-benzyl-1-prop-2-enyltriazol-4-yl)methanamine
CID 82204740
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[1-[(4-methylphenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
CID 82203284
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
1-benzyl-5-[(4-chlorophenyl)methyl]triazole-4-carbaldehyde
CID 94943104

Frequently Asked Questions

What is the IUPAC name of (1,5-dibenzyltriazol-4-yl)methanamine?
The IUPAC name of (1,5-dibenzyltriazol-4-yl)methanamine (CID 82203152) is (1,5-dibenzyltriazol-4-yl)methanamine.
What is the SMILES notation for (1,5-dibenzyltriazol-4-yl)methanamine?
The canonical SMILES for (1,5-dibenzyltriazol-4-yl)methanamine is NCc1nnn(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of (1,5-dibenzyltriazol-4-yl)methanamine?
The InChIKey is YYPUPRLYFBQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-12-16-17(11-14-7-3-1-4-8-14)21(20-19-16)13-15-9-5-2-6-10-15/h1-10H,11-13,18H2.
What are the key properties of (1,5-dibenzyltriazol-4-yl)methanamine?
(1,5-dibenzyltriazol-4-yl)methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dibenzyltriazol-4-yl)methanamine is sourced from PubChem (CID 82203152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).