3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C14H14N4O — CID 117141979

IUPAC3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(Cc2nnc3cccc(N)n23)c1
InChIInChI=1S/C14H14N4O/c1-19-11-5-2-4-10(8-11)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3
InChIKeyGTDUIEYCSNETAQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.91
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117141979) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117141979
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(Cc2nnc3cccc(N)n23)c1
InChIInChI=1S/C14H14N4O/c1-19-11-5-2-4-10(8-11)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3
InChIKeyGTDUIEYCSNETAQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
[3-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392071
[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82223591
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
2-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223597
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
7-methoxy-3-[(3-methoxyphenyl)methyl]imidazo[1,5-a]pyridine
CID 117143075
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117141979) is 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(Cc2nnc3cccc(N)n23)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is GTDUIEYCSNETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-11-5-2-4-10(8-11)9-14-17-16-13-7-3-6-12(15)18(13)14/h2-8H,9,15H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 254.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117141979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).