3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole

C10H16N4O2S — CID 50971386

IUPAC3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCS(=O)(=O)N1CCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)14-6-2-3-8(14)10-11-9(12-13-10)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyJRAJFPHHADFIQF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.78
Rot. Bonds3

About 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole

3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole (PubChem CID 50971386) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
PubChem CID50971386
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCS(=O)(=O)N1CCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)14-6-2-3-8(14)10-11-9(12-13-10)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyJRAJFPHHADFIQF-UHFFFAOYSA-N
XLogP0.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 50970837
(3S,4S)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-YL)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-YL methyl sulfone
CID 137903863
(3S,4S)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-YL)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-YL isopropyl sulfone
CID 137903865
(3S,4S)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-YL)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-YL ethyl sulfone
CID 137903967
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyltetrahydrothiophen-3-amine 1,1-dioxide
CID 50957446
1-(methylsulfonyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 50962964
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
CID 61337370
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61338147
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 64512672
N-methyl-1-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64516927
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 64518861
1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 64987407

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole (CID 50971386) is 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole is CS(=O)(=O)N1CCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
The InChIKey is JRAJFPHHADFIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17(15,16)14-6-2-3-8(14)10-11-9(12-13-10)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole has a molecular weight of 256.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 50971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).