2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

C10H16N4OS — CID 41306405

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nncn1C1CC1
InChIInChI=1S/C10H16N4OS/c1-2-5-11-9(15)6-16-10-13-12-7-14(10)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,15)
InChIKeyAWUUMRPTONLSHY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.23
Rot. Bonds6

About 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (PubChem CID 41306405) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
PubChem CID41306405
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nncn1C1CC1
InChIInChI=1S/C10H16N4OS/c1-2-5-11-9(15)6-16-10-13-12-7-14(10)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,15)
InChIKeyAWUUMRPTONLSHY-UHFFFAOYSA-N
XLogP1.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (CID 41306405) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nncn1C1CC1.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The InChIKey is AWUUMRPTONLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-5-11-9(15)6-16-10-13-12-7-14(10)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,15).
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide has a molecular weight of 240.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 41306405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).