2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

C19H13N9 — CID 139146599

IUPAC2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1cc(-c2nc(-c3ccncc3)n[nH]2)nc(-c2nc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C19H13N9/c1-2-14(18-23-16(25-27-18)12-4-8-20-9-5-12)22-15(3-1)19-24-17(26-28-19)13-6-10-21-11-7-13/h1-11H,(H,23,25,27)(H,24,26,28)
InChIKeyPZOHHVCEVSBOLS-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.78
Rot. Bonds4

About 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine

2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 139146599) has the molecular formula C19H13N9 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
PubChem CID139146599
Molecular FormulaC19H13N9
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILESc1cc(-c2nc(-c3ccncc3)n[nH]2)nc(-c2nc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C19H13N9/c1-2-14(18-23-16(25-27-18)12-4-8-20-9-5-12)22-15(3-1)19-24-17(26-28-19)13-6-10-21-11-7-13/h1-11H,(H,23,25,27)(H,24,26,28)
InChIKeyPZOHHVCEVSBOLS-UHFFFAOYSA-N
XLogP2.78
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine (CID 139146599) is 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine is c1cc(-c2nc(-c3ccncc3)n[nH]2)nc(-c2nc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is PZOHHVCEVSBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N9/c1-2-14(18-23-16(25-27-18)12-4-8-20-9-5-12)22-15(3-1)19-24-17(26-28-19)13-6-10-21-11-7-13/h1-11H,(H,23,25,27)(H,24,26,28).
What are the key properties of 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine?
2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 367.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 139146599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).