1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea

C5H7N5O3S — CID 88669190

IUPAC1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea
SMILESCc1nc(NC(=O)N=S(=O)=O)nn1C
InChIInChI=1S/C5H7N5O3S/c1-3-6-4(8-10(3)2)7-5(11)9-14(12)13/h1-2H3,(H,7,8,11)
InChIKeyAKZFNIWQMQMLON-UHFFFAOYSA-N
MW217.21 g/mol
LogP-0.28
Rot. Bonds1

About 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea

1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea (PubChem CID 88669190) has the molecular formula C5H7N5O3S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea.

Molecular Properties

Compound Name1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea
PubChem CID88669190
Molecular FormulaC5H7N5O3S
Molecular Weight217.21 g/mol
Exact Mass217.03
IUPAC Name1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea
SMILESCc1nc(NC(=O)N=S(=O)=O)nn1C
InChIInChI=1S/C5H7N5O3S/c1-3-6-4(8-10(3)2)7-5(11)9-14(12)13/h1-2H3,(H,7,8,11)
InChIKeyAKZFNIWQMQMLON-UHFFFAOYSA-N
XLogP-0.28
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea?
The IUPAC name of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea (CID 88669190) is 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea.
What is the SMILES notation for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea?
The canonical SMILES for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea is Cc1nc(NC(=O)N=S(=O)=O)nn1C.
What is the InChIKey of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea?
The InChIKey is AKZFNIWQMQMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3S/c1-3-6-4(8-10(3)2)7-5(11)9-14(12)13/h1-2H3,(H,7,8,11).
What are the key properties of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea?
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea has a molecular weight of 217.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-sulfonylurea is sourced from PubChem (CID 88669190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).