3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole

C7H15N5O3S — CID 83101879

IUPAC3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCOc1n[nH]c(NS(=O)(=O)N(C)C(C)C)n1
InChIInChI=1S/C7H15N5O3S/c1-5(2)12(3)16(13,14)11-6-8-7(15-4)10-9-6/h5H,1-4H3,(H2,8,9,10,11)
InChIKeyIUGWXFBVSHNRQD-UHFFFAOYSA-N
MW249.30 g/mol
LogP-0.19
Rot. Bonds5

About 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole

3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole (PubChem CID 83101879) has the molecular formula C7H15N5O3S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
PubChem CID83101879
Molecular FormulaC7H15N5O3S
Molecular Weight249.30 g/mol
Exact Mass249.09
IUPAC Name3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCOc1n[nH]c(NS(=O)(=O)N(C)C(C)C)n1
InChIInChI=1S/C7H15N5O3S/c1-5(2)12(3)16(13,14)11-6-8-7(15-4)10-9-6/h5H,1-4H3,(H2,8,9,10,11)
InChIKeyIUGWXFBVSHNRQD-UHFFFAOYSA-N
XLogP-0.19
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 114810246
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CID 114810083
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CID 62946478
CID 62946478
CID 83095770
CID 83095770
CID 83096536
CID 83096536
CID 83096626
CID 83096626
CID 83101412
CID 83101412
CID 83101986
CID 83101986
CID 83102100
CID 83102100
CID 104818505
CID 104818505
CID 104818550
CID 104818550
CID 104818619
CID 104818619

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The IUPAC name of 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole (CID 83101879) is 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The canonical SMILES for 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole is COc1n[nH]c(NS(=O)(=O)N(C)C(C)C)n1.
What is the InChIKey of 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The InChIKey is IUGWXFBVSHNRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3S/c1-5(2)12(3)16(13,14)11-6-8-7(15-4)10-9-6/h5H,1-4H3,(H2,8,9,10,11).
What are the key properties of 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole has a molecular weight of 249.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole is sourced from PubChem (CID 83101879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).