1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea

C14H13N5O — CID 110472243

IUPAC1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea
SMILESCc1ccc2nc(NC(=O)Nc3ccccc3)nn2c1
InChIInChI=1S/C14H13N5O/c1-10-7-8-12-16-13(18-19(12)9-10)17-14(20)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,17,18,20)
InChIKeyCJHARWIKIDJDLS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.68
Rot. Bonds2

About 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea

1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea (PubChem CID 110472243) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea
PubChem CID110472243
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea
SMILESCc1ccc2nc(NC(=O)Nc3ccccc3)nn2c1
InChIInChI=1S/C14H13N5O/c1-10-7-8-12-16-13(18-19(12)9-10)17-14(20)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,17,18,20)
InChIKeyCJHARWIKIDJDLS-UHFFFAOYSA-N
XLogP2.68
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea?
The IUPAC name of 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea (CID 110472243) is 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea is Cc1ccc2nc(NC(=O)Nc3ccccc3)nn2c1.
What is the InChIKey of 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea?
The InChIKey is CJHARWIKIDJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-7-8-12-16-13(18-19(12)9-10)17-14(20)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,17,18,20).
What are the key properties of 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea?
1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea has a molecular weight of 267.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea is sourced from PubChem (CID 110472243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).