6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine

C14H16N4O2 — CID 118495829

IUPAC6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine
SMILESCOc1ccc(C2=CN3CN(N)N=C3C=C2)cc1OC
InChIInChI=1S/C14H16N4O2/c1-19-12-5-3-10(7-13(12)20-2)11-4-6-14-16-18(15)9-17(14)8-11/h3-8H,9,15H2,1-2H3
InChIKeyUNNUGTIIWGILHK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.38
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine

6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine (PubChem CID 118495829) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine
PubChem CID118495829
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine
SMILESCOc1ccc(C2=CN3CN(N)N=C3C=C2)cc1OC
InChIInChI=1S/C14H16N4O2/c1-19-12-5-3-10(7-13(12)20-2)11-4-6-14-16-18(15)9-17(14)8-11/h3-8H,9,15H2,1-2H3
InChIKeyUNNUGTIIWGILHK-UHFFFAOYSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine (CID 118495829) is 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine is COc1ccc(C2=CN3CN(N)N=C3C=C2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine?
The InChIKey is UNNUGTIIWGILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-19-12-5-3-10(7-13(12)20-2)11-4-6-14-16-18(15)9-17(14)8-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine?
6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine is sourced from PubChem (CID 118495829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).