1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide

C7H12N4O3S — CID 83095488

IUPAC1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CC2CC2)n1
InChIInChI=1S/C7H12N4O3S/c1-14-7-8-6(9-10-7)11-15(12,13)4-5-2-3-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyPQPFVKBCFAMZKO-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.04
Rot. Bonds5

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

1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide (PubChem CID 83095488) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
PubChem CID83095488
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)CC2CC2)n1
InChIInChI=1S/C7H12N4O3S/c1-14-7-8-6(9-10-7)11-15(12,13)4-5-2-3-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyPQPFVKBCFAMZKO-UHFFFAOYSA-N
XLogP-0.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide (CID 83095488) is 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide is COc1n[nH]c(NS(=O)(=O)CC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
The InChIKey is PQPFVKBCFAMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-14-7-8-6(9-10-7)11-15(12,13)4-5-2-3-5/h5H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide?
1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide has a molecular weight of 232.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide is sourced from PubChem (CID 83095488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).