1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

C9H16N4O2S — CID 64987407

IUPAC1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)CC2CC2)n[nH]1
InChIInChI=1S/C9H16N4O2S/c1-7-10-9(12-11-7)5-13(2)16(14,15)6-8-3-4-8/h8H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyNXHBULRKXWREQQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.28
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 64987407) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID64987407
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)CC2CC2)n[nH]1
InChIInChI=1S/C9H16N4O2S/c1-7-10-9(12-11-7)5-13(2)16(14,15)6-8-3-4-8/h8H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyNXHBULRKXWREQQ-UHFFFAOYSA-N
XLogP0.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 50970837
1-[(1S)-2,2-difluoro-1-methylcyclopropyl]-N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]methanesulfonamide
CID 164629661
4,4,4-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butane-1-sulfonamide
CID 83059414
(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
1-(2,2-difluoro-1-methylcyclopropyl)-N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]methanesulfonamide
CID 138018059
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 146095484
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyltetrahydrothiophen-3-amine 1,1-dioxide
CID 50957446
N-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]methanesulfonamide
CID 131026012
3-cyclopropyl-5-(1-methylsulfonylpyrrolidin-2-yl)-1H-1,2,4-triazole
CID 50971386
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-ethylsulfonylpiperidine
CID 53590124
N-(1H-1,2,4-triazol-5-ylmethyl)propane-1-sulfonamide
CID 60982434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 64987407) is 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is Cc1nc(CN(C)S(=O)(=O)CC2CC2)n[nH]1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is NXHBULRKXWREQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7-10-9(12-11-7)5-13(2)16(14,15)6-8-3-4-8/h8H,3-6H2,1-2H3,(H,10,11,12).
What are the key properties of 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 64987407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).