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

C12H9N5Na+ — CID 22564555

IUPACsodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILES[Na+].c1ccc(-c2nc(-c3cccnc3)n[nH]2)nc1
InChIInChI=1S/C12H9N5.Na/c1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;/h1-8H,(H,15,16,17);/q;+1
InChIKeyCXQFLAUBQNYHTH-UHFFFAOYSA-N
MW246.23 g/mol
LogP-1.07
Rot. Bonds2

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

sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 22564555) has the molecular formula C12H9N5Na+ and a molecular weight of 246.23 g/mol. Its IUPAC name is sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Namesodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
PubChem CID22564555
Molecular FormulaC12H9N5Na+
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Namesodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
SMILES[Na+].c1ccc(-c2nc(-c3cccnc3)n[nH]2)nc1
InChIInChI=1S/C12H9N5.Na/c1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;/h1-8H,(H,15,16,17);/q;+1
InChIKeyCXQFLAUBQNYHTH-UHFFFAOYSA-N
XLogP-1.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
4-pyridin-2-yl-5-pyridin-3-yl-1H-pyrazol-3-amine
CID 80521247
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
3-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 918282
4-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)benzoic acid
CID 177307387
5-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)benzene-1,3-diamine
CID 43826587
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
2-methyl-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487228
2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 82569473
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918272
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
CID 118529419

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine (CID 22564555) is sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine is [Na+].c1ccc(-c2nc(-c3cccnc3)n[nH]2)nc1.
What is the InChIKey of sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is CXQFLAUBQNYHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5.Na/c1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;/h1-8H,(H,15,16,17);/q;+1.
What are the key properties of sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine?
sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 246.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 22564555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).