3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine

C11H14N4 — CID 50957417

IUPAC3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine
SMILESCc1cccnc1CC(C)n1cnnc1
InChIInChI=1S/C11H14N4/c1-9-4-3-5-12-11(9)6-10(2)15-7-13-14-8-15/h3-5,7-8,10H,6H2,1-2H3
InChIKeyODJHVKXFTWYNLU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine

3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine (PubChem CID 50957417) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine
PubChem CID50957417
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine
SMILESCc1cccnc1CC(C)n1cnnc1
InChIInChI=1S/C11H14N4/c1-9-4-3-5-12-11(9)6-10(2)15-7-13-14-8-15/h3-5,7-8,10H,6H2,1-2H3
InChIKeyODJHVKXFTWYNLU-UHFFFAOYSA-N
XLogP1.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
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2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
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2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
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2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848
1-(furan-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448619
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
7-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine?
The IUPAC name of 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine (CID 50957417) is 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine is Cc1cccnc1CC(C)n1cnnc1.
What is the InChIKey of 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine?
The InChIKey is ODJHVKXFTWYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-3-5-12-11(9)6-10(2)15-7-13-14-8-15/h3-5,7-8,10H,6H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine?
3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine has a molecular weight of 202.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1,2,4-triazol-4-yl)propyl]pyridine is sourced from PubChem (CID 50957417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).