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

C19H22N4 — CID 94938003

IUPAC[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22N4/c1-13(2)15-8-10-17(11-9-15)23-19(18(12-20)21-22-23)16-6-4-14(3)5-7-16/h4-11,13H,12,20H2,1-3H3
InChIKeyHLVIMCAFUYWGGY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.82
Rot. Bonds4

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

[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine (PubChem CID 94938003) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
PubChem CID94938003
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-c2c(CN)nnn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22N4/c1-13(2)15-8-10-17(11-9-15)23-19(18(12-20)21-22-23)16-6-4-14(3)5-7-16/h4-11,13H,12,20H2,1-3H3
InChIKeyHLVIMCAFUYWGGY-UHFFFAOYSA-N
XLogP3.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
4-(chloromethyl)-5-(4-chlorophenyl)-1-(4-methylphenyl)triazole
CID 56769724
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
4-(chloromethyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)triazole
CID 56769745
[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221146
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94939615
5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde
CID 82197639
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
CID 82199235
4-(chloromethyl)-5-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]triazole
CID 56769776

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine (CID 94938003) is [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine is Cc1ccc(-c2c(CN)nnn2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine?
The InChIKey is HLVIMCAFUYWGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13(2)15-8-10-17(11-9-15)23-19(18(12-20)21-22-23)16-6-4-14(3)5-7-16/h4-11,13H,12,20H2,1-3H3.
What are the key properties of [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine?
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 94938003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).