(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone

C13H10N6O — CID 162652373

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1cccnc1
InChIInChI=1S/C13H10N6O/c14-13-17-11(10-5-1-2-7-16-10)18-19(13)12(20)9-4-3-6-15-8-9/h1-8H,(H2,14,17,18)
InChIKeyDFFIWNDMVSTYGT-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.01
Rot. Bonds2

About (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone (PubChem CID 162652373) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone
PubChem CID162652373
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1cccnc1
InChIInChI=1S/C13H10N6O/c14-13-17-11(10-5-1-2-7-16-10)18-19(13)12(20)9-4-3-6-15-8-9/h1-8H,(H2,14,17,18)
InChIKeyDFFIWNDMVSTYGT-UHFFFAOYSA-N
XLogP1.01
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone (CID 162652373) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone is Nc1nc(-c2ccccn2)nn1C(=O)c1cccnc1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone?
The InChIKey is DFFIWNDMVSTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c14-13-17-11(10-5-1-2-7-16-10)18-19(13)12(20)9-4-3-6-15-8-9/h1-8H,(H2,14,17,18).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone has a molecular weight of 266.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 162652373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).