1H-1,2,4-triazol-5-ylmethanesulfonamide

C3H6N4O2S — CID 69297782

IUPAC1H-1,2,4-triazol-5-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ncn[nH]1
InChIInChI=1S/C3H6N4O2S/c4-10(8,9)1-3-5-2-6-7-3/h2H,1H2,(H2,4,8,9)(H,5,6,7)
InChIKeyFEKNSVMABQDDPN-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.41
Rot. Bonds2

About 1H-1,2,4-triazol-5-ylmethanesulfonamide

1H-1,2,4-triazol-5-ylmethanesulfonamide (PubChem CID 69297782) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-ylmethanesulfonamide.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-ylmethanesulfonamide
PubChem CID69297782
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name1H-1,2,4-triazol-5-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ncn[nH]1
InChIInChI=1S/C3H6N4O2S/c4-10(8,9)1-3-5-2-6-7-3/h2H,1H2,(H2,4,8,9)(H,5,6,7)
InChIKeyFEKNSVMABQDDPN-UHFFFAOYSA-N
XLogP-1.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1H-1,2,4-triazol-3-yl)methanesulfonyl fluoride
CID 54247188
1,1-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 60981989
4,4,4-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059570
4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butane-1-sulfonamide
CID 83059718
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059850
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059989
2-(1H-1,2,4-triazol-3-yl)ethane-1-sulfonyl fluoride
CID 165869227
3-(1H-1,2,4-triazol-3-yl)-1-propanesulfonic acid
CID 4155245
1H-1,2,4-triazole-5-carbothialdehyde
CID 19779935
(1H-1,2,4-triazol-3-yl)methanethiol
CID 20487087
2-(1H-1,2,4-triazol-5-yl)ethanesulfonic acid
CID 21074446
1H-1,2,4-triazol-5-ylmethanesulfonic acid
CID 57241623

Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-ylmethanesulfonamide?
The IUPAC name of 1H-1,2,4-triazol-5-ylmethanesulfonamide (CID 69297782) is 1H-1,2,4-triazol-5-ylmethanesulfonamide.
What is the SMILES notation for 1H-1,2,4-triazol-5-ylmethanesulfonamide?
The canonical SMILES for 1H-1,2,4-triazol-5-ylmethanesulfonamide is NS(=O)(=O)Cc1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazol-5-ylmethanesulfonamide?
The InChIKey is FEKNSVMABQDDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-10(8,9)1-3-5-2-6-7-3/h2H,1H2,(H2,4,8,9)(H,5,6,7).
What are the key properties of 1H-1,2,4-triazol-5-ylmethanesulfonamide?
1H-1,2,4-triazol-5-ylmethanesulfonamide has a molecular weight of 162.17 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-ylmethanesulfonamide is sourced from PubChem (CID 69297782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).