2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine

C8H10N4 — CID 140686398

IUPAC2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine
SMILESCC1=NCN(c2ccccn2)N1
InChIInChI=1S/C8H10N4/c1-7-10-6-12(11-7)8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyUBOLGKKISCZQLE-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.78
Rot. Bonds1

About 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine

2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine (PubChem CID 140686398) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine
PubChem CID140686398
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine
SMILESCC1=NCN(c2ccccn2)N1
InChIInChI=1S/C8H10N4/c1-7-10-6-12(11-7)8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyUBOLGKKISCZQLE-UHFFFAOYSA-N
XLogP0.78
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(5-methyl-1,2,4-triazol-1-yl)pyridine
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2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
methanamine;1-methyl-4-pyridin-2-ylpiperazine
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CID 58036706
CID 58036706
1-methoxy-4-pyridin-2-ylpiperazine
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5-methyl-1-pyridin-2-ylpyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine?
The IUPAC name of 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine (CID 140686398) is 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine.
What is the SMILES notation for 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine?
The canonical SMILES for 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine is CC1=NCN(c2ccccn2)N1.
What is the InChIKey of 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine?
The InChIKey is UBOLGKKISCZQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7-10-6-12(11-7)8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine?
2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine has a molecular weight of 162.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dihydro-1,2,4-triazol-2-yl)pyridine is sourced from PubChem (CID 140686398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).