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

C18H20N4 — CID 82198461

IUPAC[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2-c2ccccc2C)cc1
InChIInChI=1S/C18H20N4/c1-3-14-8-10-15(11-9-14)22-18(17(12-19)20-21-22)16-7-5-4-6-13(16)2/h4-11H,3,12,19H2,1-2H3
InChIKeyPPJDGCHWLLRORD-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.26
Rot. Bonds4

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

[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82198461) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
PubChem CID82198461
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2-c2ccccc2C)cc1
InChIInChI=1S/C18H20N4/c1-3-14-8-10-15(11-9-14)22-18(17(12-19)20-21-22)16-7-5-4-6-13(16)2/h4-11H,3,12,19H2,1-2H3
InChIKeyPPJDGCHWLLRORD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]-N,N-dimethylaniline
CID 94939636
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82198469
3-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]benzoic acid
CID 94937823
[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220928
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
CID 82198454
[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 94938494
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
methyl 4-[4-(aminomethyl)-5-phenyltriazol-1-yl]benzoate
CID 94939721

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine (CID 82198461) is [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine is CCc1ccc(-n2nnc(CN)c2-c2ccccc2C)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is PPJDGCHWLLRORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-14-8-10-15(11-9-14)22-18(17(12-19)20-21-22)16-7-5-4-6-13(16)2/h4-11H,3,12,19H2,1-2H3.
What are the key properties of [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine?
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).