[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine

C10H12N4O — CID 84672375

IUPAC[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESCOc1cccc(-n2cncn2)c1CN
InChIInChI=1S/C10H12N4O/c1-15-10-4-2-3-9(8(10)5-11)14-7-12-6-13-14/h2-4,6-7H,5,11H2,1H3
InChIKeyICBBZRIEBXJAQV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds3

About [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine

[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine (PubChem CID 84672375) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine
PubChem CID84672375
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESCOc1cccc(-n2cncn2)c1CN
InChIInChI=1S/C10H12N4O/c1-15-10-4-2-3-9(8(10)5-11)14-7-12-6-13-14/h2-4,6-7H,5,11H2,1H3
InChIKeyICBBZRIEBXJAQV-UHFFFAOYSA-N
XLogP0.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(1,2,4-triazol-1-yl)aniline
CID 82512225
1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole
CID 134507822
[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine
CID 134085949
[2-methoxy-6-(methoxymethoxy)phenyl]methanamine
CID 71420177
[2-(2-methoxyphenoxy)-6-piperidin-1-ylphenyl]methanamine
CID 118156701
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
1-(3-ethoxy-2-nitrophenyl)-1,2,4-triazole
CID 113393202
1-[2-(2,2-dimethylbutyl)-3-fluorophenyl]-1,2,4-triazole
CID 70834017
3-methoxy-4-(1,2,4-triazol-1-yl)benzaldehyde
CID 84671353
2-bromo-6-(1,2,4-triazol-1-yl)aniline
CID 84701038
2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline
CID 172704588
2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291049

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine (CID 84672375) is [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine is COc1cccc(-n2cncn2)c1CN.
What is the InChIKey of [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine?
The InChIKey is ICBBZRIEBXJAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-10-4-2-3-9(8(10)5-11)14-7-12-6-13-14/h2-4,6-7H,5,11H2,1H3.
What are the key properties of [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine?
[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine has a molecular weight of 204.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 84672375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).