5-pyridin-3-yl-1,2,4-triazine

C8H6N4 — CID 141083595

IUPAC5-pyridin-3-yl-1,2,4-triazine
SMILESc1cncc(-c2cnncn2)c1
InChIInChI=1S/C8H6N4/c1-2-7(4-9-3-1)8-5-11-12-6-10-8/h1-6H
InChIKeyLYXSIVBJMKGXCW-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.93
Rot. Bonds1

About 5-pyridin-3-yl-1,2,4-triazine

5-pyridin-3-yl-1,2,4-triazine (PubChem CID 141083595) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-pyridin-3-yl-1,2,4-triazine
PubChem CID141083595
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name5-pyridin-3-yl-1,2,4-triazine
SMILESc1cncc(-c2cnncn2)c1
InChIInChI=1S/C8H6N4/c1-2-7(4-9-3-1)8-5-11-12-6-10-8/h1-6H
InChIKeyLYXSIVBJMKGXCW-UHFFFAOYSA-N
XLogP0.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-6-pyridin-3-ylpyrimidine
CID 51355283
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
2,6-dipyridin-3-ylpyridine
CID 13349632
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865
cyclopenta[c]azepine
CID 638010
5-methylsulfanyl-2-pyridin-3-ylpyridine
CID 123833114
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267
3-azulen-6-ylpyridine
CID 86232079
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 83847968

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1,2,4-triazine?
The IUPAC name of 5-pyridin-3-yl-1,2,4-triazine (CID 141083595) is 5-pyridin-3-yl-1,2,4-triazine.
What is the SMILES notation for 5-pyridin-3-yl-1,2,4-triazine?
The canonical SMILES for 5-pyridin-3-yl-1,2,4-triazine is c1cncc(-c2cnncn2)c1.
What is the InChIKey of 5-pyridin-3-yl-1,2,4-triazine?
The InChIKey is LYXSIVBJMKGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-2-7(4-9-3-1)8-5-11-12-6-10-8/h1-6H.
What are the key properties of 5-pyridin-3-yl-1,2,4-triazine?
5-pyridin-3-yl-1,2,4-triazine has a molecular weight of 158.16 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1,2,4-triazine is sourced from PubChem (CID 141083595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).