1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea

C19H16N6O — CID 150605485

IUPAC1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C19H16N6O/c26-19(21-12-14-8-10-20-11-9-14)22-16-6-7-17-23-18(24-25(17)13-16)15-4-2-1-3-5-15/h1-11,13H,12H2,(H2,21,22,26)
InChIKeyISTXQIRQRHQHIV-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea

1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 150605485) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
PubChem CID150605485
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C19H16N6O/c26-19(21-12-14-8-10-20-11-9-14)22-16-6-7-17-23-18(24-25(17)13-16)15-4-2-1-3-5-15/h1-11,13H,12H2,(H2,21,22,26)
InChIKeyISTXQIRQRHQHIV-UHFFFAOYSA-N
XLogP3.11
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea (CID 150605485) is 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc2nc(-c3ccccc3)nn2c1.
What is the InChIKey of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is ISTXQIRQRHQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(21-12-14-8-10-20-11-9-14)22-16-6-7-17-23-18(24-25(17)13-16)15-4-2-1-3-5-15/h1-11,13H,12H2,(H2,21,22,26).
What are the key properties of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea?
1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 344.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 150605485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).