[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

C18H20N4 — CID 82203279

IUPAC[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)12-22-18(17(11-19)20-21-22)16-5-3-4-14(2)10-16/h3-10H,11-12,19H2,1-2H3
InChIKeyATCHBJBDDZQVAC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.07
Rot. Bonds4

About [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203279) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203279
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)c2-c2cccc(C)c2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)12-22-18(17(11-19)20-21-22)16-5-3-4-14(2)10-16/h3-10H,11-12,19H2,1-2H3
InChIKeyATCHBJBDDZQVAC-UHFFFAOYSA-N
XLogP3.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 82203279) is [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is Cc1ccc(Cn2nnc(CN)c2-c2cccc(C)c2)cc1.
What is the InChIKey of [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is ATCHBJBDDZQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)12-22-18(17(11-19)20-21-22)16-5-3-4-14(2)10-16/h3-10H,11-12,19H2,1-2H3.
What are the key properties of [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82203279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).