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

C22H28N4 — CID 164681820

IUPAC5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine
SMILESCCCN(CCC)c1c(Cc2ccccc2)nnn1-c1cccc(C)c1
InChIInChI=1S/C22H28N4/c1-4-14-25(15-5-2)22-21(17-19-11-7-6-8-12-19)23-24-26(22)20-13-9-10-18(3)16-20/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyLJGWPQVISWAAMK-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.79
Rot. Bonds8

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

5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine (PubChem CID 164681820) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine.

Molecular Properties

Compound Name5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine
PubChem CID164681820
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine
SMILESCCCN(CCC)c1c(Cc2ccccc2)nnn1-c1cccc(C)c1
InChIInChI=1S/C22H28N4/c1-4-14-25(15-5-2)22-21(17-19-11-7-6-8-12-19)23-24-26(22)20-13-9-10-18(3)16-20/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyLJGWPQVISWAAMK-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-chlorophenyl)-N,N-dipropyltriazol-4-amine
CID 164681831
5-benzyl-3-(2-methylphenyl)-N,N-dipropyltriazol-4-amine
CID 164681821
3-phenyl-N,N-dipropyl-5-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
CID 164681841
5-benzyl-3-(4-nitrophenyl)-N,N-dipropyltriazol-4-amine
CID 164681834
5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
CID 155672832
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
3-[5-methyl-1-(3-methylphenyl)triazol-4-yl]propanoic acid
CID 82198090
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
4-(chloromethyl)-1,5-bis(3-methylphenyl)triazole
CID 56769786
5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
CID 105485940
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine?
The IUPAC name of 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine (CID 164681820) is 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine.
What is the SMILES notation for 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine?
The canonical SMILES for 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine is CCCN(CCC)c1c(Cc2ccccc2)nnn1-c1cccc(C)c1.
What is the InChIKey of 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine?
The InChIKey is LJGWPQVISWAAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-4-14-25(15-5-2)22-21(17-19-11-7-6-8-12-19)23-24-26(22)20-13-9-10-18(3)16-20/h6-13,16H,4-5,14-15,17H2,1-3H3.
What are the key properties of 5-benzyl-3-(3-methylphenyl)-N,N-dipropyltriazol-4-amine?
5-benzyl-3-(3-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-(3-methylphenyl)-N,N-dipropyltriazol-4-amine is sourced from PubChem (CID 164681820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).