(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine

C11H14N4O — CID 115030681

IUPAC(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCOc1cccc(C(N)c2ncnn2C)c1
InChIInChI=1S/C11H14N4O/c1-15-11(13-7-14-15)10(12)8-4-3-5-9(6-8)16-2/h3-7,10H,12H2,1-2H3
InChIKeyAWBFUYIMYHRUEW-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.87
Rot. Bonds3

About (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine

(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 115030681) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID115030681
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCOc1cccc(C(N)c2ncnn2C)c1
InChIInChI=1S/C11H14N4O/c1-15-11(13-7-14-15)10(12)8-4-3-5-9(6-8)16-2/h3-7,10H,12H2,1-2H3
InChIKeyAWBFUYIMYHRUEW-UHFFFAOYSA-N
XLogP0.87
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-bromophenyl)-(3-methoxyphenyl)methanamine
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4-[amino-(3-methoxyphenyl)methyl]aniline
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1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
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(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
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CID 105086328

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 115030681) is (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is COc1cccc(C(N)c2ncnn2C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is AWBFUYIMYHRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-11(13-7-14-15)10(12)8-4-3-5-9(6-8)16-2/h3-7,10H,12H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine?
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 115030681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).