5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine

C22H20N4 — CID 155672832

IUPAC5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
SMILESCN(c1ccccc1)c1c(Cc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C22H20N4/c1-25(19-13-7-3-8-14-19)22-21(17-18-11-5-2-6-12-18)23-24-26(22)20-15-9-4-10-16-20/h2-16H,17H2,1H3
InChIKeyUWKXNZSRWYJBMN-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.63
Rot. Bonds5

About 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine

5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine (PubChem CID 155672832) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine.

Molecular Properties

Compound Name5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
PubChem CID155672832
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
SMILESCN(c1ccccc1)c1c(Cc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C22H20N4/c1-25(19-13-7-3-8-14-19)22-21(17-18-11-5-2-6-12-18)23-24-26(22)20-15-9-4-10-16-20/h2-16H,17H2,1H3
InChIKeyUWKXNZSRWYJBMN-UHFFFAOYSA-N
XLogP4.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine?
The IUPAC name of 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine (CID 155672832) is 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine.
What is the SMILES notation for 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine?
The canonical SMILES for 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine is CN(c1ccccc1)c1c(Cc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine?
The InChIKey is UWKXNZSRWYJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-25(19-13-7-3-8-14-19)22-21(17-18-11-5-2-6-12-18)23-24-26(22)20-15-9-4-10-16-20/h2-16H,17H2,1H3.
What are the key properties of 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine?
5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine has a molecular weight of 340.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine is sourced from PubChem (CID 155672832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).