[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

C14H14N4O — CID 117145868

IUPAC[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESCOc1cccc(-c2nnc3c(CN)cccn23)c1
InChIInChI=1S/C14H14N4O/c1-19-12-6-2-4-10(8-12)13-16-17-14-11(9-15)5-3-7-18(13)14/h2-8H,9,15H2,1H3
InChIKeyHLKCTHDDZYRVKT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.86
Rot. Bonds3

About [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (PubChem CID 117145868) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
PubChem CID117145868
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESCOc1cccc(-c2nnc3c(CN)cccn23)c1
InChIInChI=1S/C14H14N4O/c1-19-12-6-2-4-10(8-12)13-16-17-14-11(9-15)5-3-7-18(13)14/h2-8H,9,15H2,1H3
InChIKeyHLKCTHDDZYRVKT-UHFFFAOYSA-N
XLogP1.86
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145864
(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
CID 82054849
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
2-chloro-3-(3-methoxyphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 67201173
[3-[(3-methoxyphenyl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145821
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 105489897
[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138394
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The IUPAC name of [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (CID 117145868) is [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is COc1cccc(-c2nnc3c(CN)cccn23)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The InChIKey is HLKCTHDDZYRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-12-6-2-4-10(8-12)13-16-17-14-11(9-15)5-3-7-18(13)14/h2-8H,9,15H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine has a molecular weight of 254.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117145868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).