N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H16N6O — CID 89109621

IUPACN-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CCOc1ccc(-c2cccn3nc(Nc4cnn(C)c4)nc23)cc1
InChIInChI=1S/C19H16N6O/c1-3-11-26-16-8-6-14(7-9-16)17-5-4-10-25-18(17)22-19(23-25)21-15-12-20-24(2)13-15/h1,4-10,12-13H,11H2,2H3,(H,21,23)
InChIKeyZLLRMOARFLEVRV-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.89
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 89109621) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID89109621
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CCOc1ccc(-c2cccn3nc(Nc4cnn(C)c4)nc23)cc1
InChIInChI=1S/C19H16N6O/c1-3-11-26-16-8-6-14(7-9-16)17-5-4-10-25-18(17)22-19(23-25)21-15-12-20-24(2)13-15/h1,4-10,12-13H,11H2,2H3,(H,21,23)
InChIKeyZLLRMOARFLEVRV-UHFFFAOYSA-N
XLogP2.89
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 89109621) is N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C#CCOc1ccc(-c2cccn3nc(Nc4cnn(C)c4)nc23)cc1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZLLRMOARFLEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-3-11-26-16-8-6-14(7-9-16)17-5-4-10-25-18(17)22-19(23-25)21-15-12-20-24(2)13-15/h1,4-10,12-13H,11H2,2H3,(H,21,23).
What are the key properties of N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 344.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-8-(4-prop-2-ynoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 89109621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).