4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one

C11H16N4O3S — CID 2814158

IUPAC4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)N1CCOCC1
InChIInChI=1S/C11H16N4O3S/c16-9(14-3-5-18-6-4-14)7-19-11-13-12-10(17)15(11)8-1-2-8/h8H,1-7H2,(H,12,17)
InChIKeyMMTFVBVNNFDJAA-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.14
Rot. Bonds4

About 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 2814158) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one
PubChem CID2814158
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one
SMILESO=C(CSc1n[nH]c(=O)n1C1CC1)N1CCOCC1
InChIInChI=1S/C11H16N4O3S/c16-9(14-3-5-18-6-4-14)7-19-11-13-12-10(17)15(11)8-1-2-8/h8H,1-7H2,(H,12,17)
InChIKeyMMTFVBVNNFDJAA-UHFFFAOYSA-N
XLogP-0.14
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one (CID 2814158) is 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one is O=C(CSc1n[nH]c(=O)n1C1CC1)N1CCOCC1.
What is the InChIKey of 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is MMTFVBVNNFDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c16-9(14-3-5-18-6-4-14)7-19-11-13-12-10(17)15(11)8-1-2-8/h8H,1-7H2,(H,12,17).
What are the key properties of 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 284.34 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 2814158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).