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

C11H14N4O — CID 114689791

IUPAC[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine
SMILESCOc1ccc(-c2cnnn2C)cc1CN
InChIInChI=1S/C11H14N4O/c1-15-10(7-13-14-15)8-3-4-11(16-2)9(5-8)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyBYXDXAVXKWGNFI-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.95
Rot. Bonds3

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

[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine (PubChem CID 114689791) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine
PubChem CID114689791
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine
SMILESCOc1ccc(-c2cnnn2C)cc1CN
InChIInChI=1S/C11H14N4O/c1-15-10(7-13-14-15)8-3-4-11(16-2)9(5-8)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyBYXDXAVXKWGNFI-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methoxy-5-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689828
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689798
4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
CID 115031242
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
CID 89164345
CID 89164345
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine (CID 114689791) is [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine is COc1ccc(-c2cnnn2C)cc1CN.
What is the InChIKey of [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine?
The InChIKey is BYXDXAVXKWGNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-10(7-13-14-15)8-3-4-11(16-2)9(5-8)6-12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine?
[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 114689791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).