1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole

C4H9N5O2S — CID 103882779

IUPAC1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
SMILESCn1cnc(CNS(N)(=O)=O)n1
InChIInChI=1S/C4H9N5O2S/c1-9-3-6-4(8-9)2-7-12(5,10)11/h3,7H,2H2,1H3,(H2,5,10,11)
InChIKeyANCSPZYSEYSCGB-UHFFFAOYSA-N
MW191.22 g/mol
LogP-1.89
Rot. Bonds3

About 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole

1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole (PubChem CID 103882779) has the molecular formula C4H9N5O2S and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
PubChem CID103882779
Molecular FormulaC4H9N5O2S
Molecular Weight191.22 g/mol
Exact Mass191.05
IUPAC Name1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole
SMILESCn1cnc(CNS(N)(=O)=O)n1
InChIInChI=1S/C4H9N5O2S/c1-9-3-6-4(8-9)2-7-12(5,10)11/h3,7H,2H2,1H3,(H2,5,10,11)
InChIKeyANCSPZYSEYSCGB-UHFFFAOYSA-N
XLogP-1.89
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
methyl[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]amine
CID 56828625
(1-tert-butyl-1H-1,2,4-triazol-5-yl)methanamine
CID 112756369
[1-(propan-2-yl)-1H-1,2,4-triazol-3-yl]methanamine dihydrochloride
CID 138990999
methyl((1-methyl-1H-1,2,4-triazol-5-yl)methyl)amine hydrochloride
CID 145874485
methyl[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]amine dihydrochloride
CID 145909087
1-(1-ethyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 165890134
5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole
CID 164632572

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole (CID 103882779) is 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole is Cn1cnc(CNS(N)(=O)=O)n1.
What is the InChIKey of 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole?
The InChIKey is ANCSPZYSEYSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O2S/c1-9-3-6-4(8-9)2-7-12(5,10)11/h3,7H,2H2,1H3,(H2,5,10,11).
What are the key properties of 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole?
1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole has a molecular weight of 191.22 g/mol, XLogP of -1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(sulfamoylamino)methyl]-1,2,4-triazole is sourced from PubChem (CID 103882779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).