8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H15N5O — CID 44554489

IUPAC8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(-c2cccn3nc(Nc4ccncc4)nc23)c1
InChIInChI=1S/C18H15N5O/c1-24-15-5-2-4-13(12-15)16-6-3-11-23-17(16)21-18(22-23)20-14-7-9-19-10-8-14/h2-12H,1H3,(H,19,20,22)
InChIKeyPELYMQXDDQNSQK-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.54
Rot. Bonds4

About 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 44554489) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID44554489
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(-c2cccn3nc(Nc4ccncc4)nc23)c1
InChIInChI=1S/C18H15N5O/c1-24-15-5-2-4-13(12-15)16-6-3-11-23-17(16)21-18(22-23)20-14-7-9-19-10-8-14/h2-12H,1H3,(H,19,20,22)
InChIKeyPELYMQXDDQNSQK-UHFFFAOYSA-N
XLogP3.54
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 44554489) is 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cccc(-c2cccn3nc(Nc4ccncc4)nc23)c1.
What is the InChIKey of 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PELYMQXDDQNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-15-5-2-4-13(12-15)16-6-3-11-23-17(16)21-18(22-23)20-14-7-9-19-10-8-14/h2-12H,1H3,(H,19,20,22).
What are the key properties of 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 44554489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).