5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine

C22H28N4 — CID 164681821

IUPAC5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine
SMILESCCCN(CCC)c1c(Cc2ccccc2)nnn1-c1ccccc1C
InChIInChI=1S/C22H28N4/c1-4-15-25(16-5-2)22-20(17-19-12-7-6-8-13-19)23-24-26(22)21-14-10-9-11-18(21)3/h6-14H,4-5,15-17H2,1-3H3
InChIKeyACQKIAMWIIMFHJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.79
Rot. Bonds8

About 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine

5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine (PubChem CID 164681821) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine.

Molecular Properties

Compound Name5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine
PubChem CID164681821
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine
SMILESCCCN(CCC)c1c(Cc2ccccc2)nnn1-c1ccccc1C
InChIInChI=1S/C22H28N4/c1-4-15-25(16-5-2)22-20(17-19-12-7-6-8-13-19)23-24-26(22)21-14-10-9-11-18(21)3/h6-14H,4-5,15-17H2,1-3H3
InChIKeyACQKIAMWIIMFHJ-UHFFFAOYSA-N
XLogP4.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine
CID 164681820
5-benzyl-3-(3-chlorophenyl)-N,N-dipropyltriazol-4-amine
CID 164681831
5-benzyl-3-(4-nitrophenyl)-N,N-dipropyltriazol-4-amine
CID 164681834
3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
CID 164681841
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
CID 155672832
5-ethyl-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198163
4-(chloromethyl)-5-(4-fluorophenyl)-1-(2-methylphenyl)triazole
CID 56769743
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
5-(3,4-dimethylphenyl)-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198214

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine?
The IUPAC name of 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine (CID 164681821) is 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine.
What is the SMILES notation for 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine?
The canonical SMILES for 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine is CCCN(CCC)c1c(Cc2ccccc2)nnn1-c1ccccc1C.
What is the InChIKey of 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine?
The InChIKey is ACQKIAMWIIMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-4-15-25(16-5-2)22-20(17-19-12-7-6-8-13-19)23-24-26(22)21-14-10-9-11-18(21)3/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine?
5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine has a molecular weight of 348.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine is sourced from PubChem (CID 164681821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).