4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

C12H9N5 — CID 2443499

IUPAC4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
InChIInChI=1S/C12H9N5/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-8H,(H,15,16,17)
InChIKeyQUKGHTHKDNHSOX-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds2

About 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 2443499) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
PubChem CID2443499
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
InChIInChI=1S/C12H9N5/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-8H,(H,15,16,17)
InChIKeyQUKGHTHKDNHSOX-UHFFFAOYSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine (CID 2443499) is 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine is c1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1.
What is the InChIKey of 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is QUKGHTHKDNHSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-8H,(H,15,16,17).
What are the key properties of 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 223.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 2443499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).