1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea

C15H22N6O3S — CID 72851845

IUPAC1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)NC(c1ncnn1C)C(C)C
InChIInChI=1S/C15H22N6O3S/c1-9(2)13(14-17-8-18-21(14)4)20-15(22)19-12-7-11(25(16,23)24)6-5-10(12)3/h5-9,13H,1-4H3,(H2,16,23,24)(H2,19,20,22)
InChIKeyDZUZIHOLTXEWBG-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.29
Rot. Bonds5

About 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea

1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea (PubChem CID 72851845) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea
PubChem CID72851845
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)NC(c1ncnn1C)C(C)C
InChIInChI=1S/C15H22N6O3S/c1-9(2)13(14-17-8-18-21(14)4)20-15(22)19-12-7-11(25(16,23)24)6-5-10(12)3/h5-9,13H,1-4H3,(H2,16,23,24)(H2,19,20,22)
InChIKeyDZUZIHOLTXEWBG-UHFFFAOYSA-N
XLogP1.29
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea (CID 72851845) is 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea is Cc1ccc(S(N)(=O)=O)cc1NC(=O)NC(c1ncnn1C)C(C)C.
What is the InChIKey of 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea?
The InChIKey is DZUZIHOLTXEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-9(2)13(14-17-8-18-21(14)4)20-15(22)19-12-7-11(25(16,23)24)6-5-10(12)3/h5-9,13H,1-4H3,(H2,16,23,24)(H2,19,20,22).
What are the key properties of 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea?
1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea has a molecular weight of 366.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(2-methyl-5-sulfamoylphenyl)urea is sourced from PubChem (CID 72851845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).