3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole

C4H9N5O3S — CID 104818915

IUPAC3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(N)(=O)=O)n1
InChIInChI=1S/C4H9N5O3S/c1-2-12-4-6-3(7-8-4)9-13(5,10)11/h2H2,1H3,(H2,5,10,11)(H2,6,7,8,9)
InChIKeyFZCDSXYFJGGZQV-UHFFFAOYSA-N
MW207.21 g/mol
LogP-1.18
Rot. Bonds4

About 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole

3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole (PubChem CID 104818915) has the molecular formula C4H9N5O3S and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole
PubChem CID104818915
Molecular FormulaC4H9N5O3S
Molecular Weight207.21 g/mol
Exact Mass207.04
IUPAC Name3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(N)(=O)=O)n1
InChIInChI=1S/C4H9N5O3S/c1-2-12-4-6-3(7-8-4)9-13(5,10)11/h2H2,1H3,(H2,5,10,11)(H2,6,7,8,9)
InChIKeyFZCDSXYFJGGZQV-UHFFFAOYSA-N
XLogP-1.18
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-1H-1,2,4-triazol-3-amine
CID 13045208
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide
CID 104818602
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide
CID 104818632
3-ethoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 113637321
Potassium 3-propoxy-1H-1,2,4-triazol-5-olate
CID 138394312
3-propoxy-1H-1,2,4-triazol-5-amine
CID 20307918
3-butoxy-1H-1,2,4-triazol-5-amine
CID 20307921
5-Ethoxy-1,2,4-triazole-3,4-diamine
CID 80490215
2-methoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 83093070
5-(dimethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83096626
N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 83101764
5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83102100

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole?
The IUPAC name of 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole (CID 104818915) is 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole?
The canonical SMILES for 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole is CCOc1n[nH]c(NS(N)(=O)=O)n1.
What is the InChIKey of 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole?
The InChIKey is FZCDSXYFJGGZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O3S/c1-2-12-4-6-3(7-8-4)9-13(5,10)11/h2H2,1H3,(H2,5,10,11)(H2,6,7,8,9).
What are the key properties of 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole?
3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole has a molecular weight of 207.21 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(sulfamoylamino)-1H-1,2,4-triazole is sourced from PubChem (CID 104818915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).