(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide

C4H8N4O2S — CID 155678790

IUPAC(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide
SMILESCn1cnc(CS(N)(=O)=O)n1
InChIInChI=1S/C4H8N4O2S/c1-8-3-6-4(7-8)2-11(5,9)10/h3H,2H2,1H3,(H2,5,9,10)
InChIKeyPMANHLAHVXVLSH-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.40
Rot. Bonds2

About (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide

(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide (PubChem CID 155678790) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide
PubChem CID155678790
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide
SMILESCn1cnc(CS(N)(=O)=O)n1
InChIInChI=1S/C4H8N4O2S/c1-8-3-6-4(7-8)2-11(5,9)10/h3H,2H2,1H3,(H2,5,9,10)
InChIKeyPMANHLAHVXVLSH-UHFFFAOYSA-N
XLogP-1.40
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
CID 103882779
1,3,5-triazin-2-ylmethanesulfonamide
CID 66922039
(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
CID 70249315
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 103914670
3-ethylsulfonyl-1-methyl-1,2,4-triazole
CID 58381593
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 80682072
2-amino-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 80680984
2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 82412851
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
4-(aminomethyl)-2-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106093481
1-methylsulfonyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 80682240
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide (CID 155678790) is (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide is Cn1cnc(CS(N)(=O)=O)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
The InChIKey is PMANHLAHVXVLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-8-3-6-4(7-8)2-11(5,9)10/h3H,2H2,1H3,(H2,5,9,10).
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide?
(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide has a molecular weight of 176.20 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)methanesulfonamide is sourced from PubChem (CID 155678790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).