2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine

C12H16N4O — CID 115395550

IUPAC2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ncccc1-c1nncn1CC(C)C
InChIInChI=1S/C12H16N4O/c1-9(2)7-16-8-14-15-11(16)10-5-4-6-13-12(10)17-3/h4-6,8-9H,7H2,1-3H3
InChIKeyLTPWFGXYLREWHA-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.00
Rot. Bonds4

About 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine

2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 115395550) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID115395550
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ncccc1-c1nncn1CC(C)C
InChIInChI=1S/C12H16N4O/c1-9(2)7-16-8-14-15-11(16)10-5-4-6-13-12(10)17-3/h4-6,8-9H,7H2,1-3H3
InChIKeyLTPWFGXYLREWHA-UHFFFAOYSA-N
XLogP2.00
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501
3-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 102885855
3-(3-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113403238
4-(2-methylpropyl)-3-(2-nitrophenyl)-1,2,4-triazole
CID 115395672
3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
CID 104673238
4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812997
4-fluoro-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 62711248
3-(2-methoxy-3-pyridinyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 62874645
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine (CID 115395550) is 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine is COc1ncccc1-c1nncn1CC(C)C.
What is the InChIKey of 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is LTPWFGXYLREWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)7-16-8-14-15-11(16)10-5-4-6-13-12(10)17-3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine?
2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 232.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 115395550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).