N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine

C6H11N5O3S — CID 114810249

IUPACN-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NC2CC2)n1
InChIInChI=1S/C6H11N5O3S/c1-14-6-7-5(8-9-6)11-15(12,13)10-4-2-3-4/h4,10H,2-3H2,1H3,(H2,7,8,9,11)
InChIKeyLQOOSNRSUKQLFO-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.78
Rot. Bonds5

About N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine

N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine (PubChem CID 114810249) has the molecular formula C6H11N5O3S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
PubChem CID114810249
Molecular FormulaC6H11N5O3S
Molecular Weight233.25 g/mol
Exact Mass233.06
IUPAC NameN-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NS(=O)(=O)NC2CC2)n1
InChIInChI=1S/C6H11N5O3S/c1-14-6-7-5(8-9-6)11-15(12,13)10-4-2-3-4/h4,10H,2-3H2,1H3,(H2,7,8,9,11)
InChIKeyLQOOSNRSUKQLFO-UHFFFAOYSA-N
XLogP-0.78
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810246
3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 83101879
5-(diethylsulfamoylamino)-3-methoxy-1H-1,2,4-triazole
CID 83102100
3-ethoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 104818619
N-(cyclopropylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810087
N-(tert-butylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
CID 114810243
3-methoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810244
3-methoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810245
N-(ethylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine
CID 114810248
3-ethoxy-N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810296
3-ethoxy-N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810297
3-ethoxy-N-(ethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810299

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine (CID 114810249) is N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine is COc1n[nH]c(NS(=O)(=O)NC2CC2)n1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
The InChIKey is LQOOSNRSUKQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S/c1-14-6-7-5(8-9-6)11-15(12,13)10-4-2-3-4/h4,10H,2-3H2,1H3,(H2,7,8,9,11).
What are the key properties of N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine?
N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine has a molecular weight of 233.25 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-3-methoxy-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).