2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine

C12H14N4O2S — CID 50954617

IUPAC2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCS(=O)(=O)Cc1nc(C2CC2)nn1-c1ccccn1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)8-11-14-12(9-5-6-9)15-16(11)10-4-2-3-7-13-10/h2-4,7,9H,5-6,8H2,1H3
InChIKeyATPUUMFLOJAASZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.08
Rot. Bonds4

About 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine

2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 50954617) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID50954617
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCS(=O)(=O)Cc1nc(C2CC2)nn1-c1ccccn1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)8-11-14-12(9-5-6-9)15-16(11)10-4-2-3-7-13-10/h2-4,7,9H,5-6,8H2,1H3
InChIKeyATPUUMFLOJAASZ-UHFFFAOYSA-N
XLogP1.08
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 12991484
2-[5-Cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991486
2-[5-(3-Methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991495
5-Methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226668
2-[5-(2-Methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 22504699
2-[5-Cyclobutyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991482
5-Methylsulfonyl-2-[5-pyridin-4-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 12991485
2-[5-(2-Methylpropyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 22504703
[1,2,4]Triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83821830
2-[5-[(methylsulfonyl)methyl]-3-(2-phenylethyl)-1H-1,2,4-triazol-1-yl]pyridine
CID 50970750
2-{3-isobutyl-5-[(methylsulfonyl)methyl]-1H-1,2,4-triazol-1-yl}pyridine
CID 50973417
4-{3-isopropyl-5-[(methylsulfonyl)methyl]-1H-1,2,4-triazol-1-yl}-3-methylpyridine
CID 50974992

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine (CID 50954617) is 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine is CS(=O)(=O)Cc1nc(C2CC2)nn1-c1ccccn1.
What is the InChIKey of 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is ATPUUMFLOJAASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-19(17,18)8-11-14-12(9-5-6-9)15-16(11)10-4-2-3-7-13-10/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 278.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(methylsulfonylmethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50954617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).