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

C17H15N7O — CID 151339580

IUPAC1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C17H15N7O/c25-17(18-8-12-9-19-20-10-12)21-14-6-7-15-22-16(23-24(15)11-14)13-4-2-1-3-5-13/h1-7,9-11H,8H2,(H,19,20)(H2,18,21,25)
InChIKeyOKEHMXIMPNOSOP-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.44
Rot. Bonds4

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

1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea (PubChem CID 151339580) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea
PubChem CID151339580
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C17H15N7O/c25-17(18-8-12-9-19-20-10-12)21-14-6-7-15-22-16(23-24(15)11-14)13-4-2-1-3-5-13/h1-7,9-11H,8H2,(H,19,20)(H2,18,21,25)
InChIKeyOKEHMXIMPNOSOP-UHFFFAOYSA-N
XLogP2.44
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

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N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
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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-(1H-pyrazol-4-ylmethyl)urea?
The IUPAC name of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea (CID 151339580) is 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea?
The canonical SMILES for 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea is O=C(NCc1cn[nH]c1)Nc1ccc2nc(-c3ccccc3)nn2c1.
What is the InChIKey of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea?
The InChIKey is OKEHMXIMPNOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c25-17(18-8-12-9-19-20-10-12)21-14-6-7-15-22-16(23-24(15)11-14)13-4-2-1-3-5-13/h1-7,9-11H,8H2,(H,19,20)(H2,18,21,25).
What are the key properties of 1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea?
1-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1H-pyrazol-4-ylmethyl)urea has a molecular weight of 333.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 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-(1H-pyrazol-4-ylmethyl)urea is sourced from PubChem (CID 151339580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).