[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine

C16H16N4O — CID 114689828

IUPAC[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
SMILESCOc1ccc(-c2cnnn2-c2ccccc2)cc1CN
InChIInChI=1S/C16H16N4O/c1-21-16-8-7-12(9-13(16)10-17)15-11-18-19-20(15)14-5-3-2-4-6-14/h2-9,11H,10,17H2,1H3
InChIKeyNGHJWSZWIYZHPV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.40
Rot. Bonds4

About [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine

[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine (PubChem CID 114689828) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
PubChem CID114689828
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
SMILESCOc1ccc(-c2cnnn2-c2ccccc2)cc1CN
InChIInChI=1S/C16H16N4O/c1-21-16-8-7-12(9-13(16)10-17)15-11-18-19-20(15)14-5-3-2-4-6-14/h2-9,11H,10,17H2,1H3
InChIKeyNGHJWSZWIYZHPV-UHFFFAOYSA-N
XLogP2.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine
CID 114689791
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol
CID 102035292
1-(4-phenoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
CID 25067758
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide
CID 71218480
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
1-[2-chloro-4-(3-phenyltriazol-4-yl)phenyl]ethanone
CID 114689684
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine (CID 114689828) is [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine is COc1ccc(-c2cnnn2-c2ccccc2)cc1CN.
What is the InChIKey of [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine?
The InChIKey is NGHJWSZWIYZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-16-8-7-12(9-13(16)10-17)15-11-18-19-20(15)14-5-3-2-4-6-14/h2-9,11H,10,17H2,1H3.
What are the key properties of [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine?
[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 114689828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).