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

C18H20N4O — CID 94943636

IUPAC[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(-c2c(CN)nnn2Cc2ccccc2C)cc1
InChIInChI=1S/C18H20N4O/c1-13-5-3-4-6-15(13)12-22-18(17(11-19)20-21-22)14-7-9-16(23-2)10-8-14/h3-10H,11-12,19H2,1-2H3
InChIKeyKZZFCJWIUJXWDC-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.77
Rot. Bonds5

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

[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 94943636) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID94943636
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(-c2c(CN)nnn2Cc2ccccc2C)cc1
InChIInChI=1S/C18H20N4O/c1-13-5-3-4-6-15(13)12-22-18(17(11-19)20-21-22)14-7-9-16(23-2)10-8-14/h3-10H,11-12,19H2,1-2H3
InChIKeyKZZFCJWIUJXWDC-UHFFFAOYSA-N
XLogP2.77
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carbonitrile
CID 82204053
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
[1-[(2-chlorophenyl)methyl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82203445
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine (CID 94943636) is [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine is COc1ccc(-c2c(CN)nnn2Cc2ccccc2C)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is KZZFCJWIUJXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-5-3-4-6-15(13)12-22-18(17(11-19)20-21-22)14-7-9-16(23-2)10-8-14/h3-10H,11-12,19H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 308.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 94943636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).