2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C15H13N5O2 — CID 58349254

IUPAC2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCn1cnc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1
InChIInChI=1S/C15H13N5O2/c1-20-10-18-15(19-20)8-14(21)13-7-11(4-6-17-13)22-12-3-2-5-16-9-12/h2-7,9-10H,8H2,1H3
InChIKeyWURWRSQPORBIMM-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.82
Rot. Bonds5

About 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349254) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349254
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCn1cnc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1
InChIInChI=1S/C15H13N5O2/c1-20-10-18-15(19-20)8-14(21)13-7-11(4-6-17-13)22-12-3-2-5-16-9-12/h2-7,9-10H,8H2,1H3
InChIKeyWURWRSQPORBIMM-UHFFFAOYSA-N
XLogP1.82
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349315
2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
2-(5-fluoro-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 157270549
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
(4-pyridin-3-yloxy-2-pyridinyl)methanol
CID 61255855
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
N-(3-fluorophenyl)-4-pyridin-3-yloxypyridine-2-carboxamide
CID 51038609
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349291
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349254) is 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is Cn1cnc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.
What is the InChIKey of 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is WURWRSQPORBIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-20-10-18-15(19-20)8-14(21)13-7-11(4-6-17-13)22-12-3-2-5-16-9-12/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 295.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).