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

C12H18N4O2S — CID 43577090

IUPACN-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nncn1C1CC1)N(CCO)C1CC1
InChIInChI=1S/C12H18N4O2S/c17-6-5-15(9-1-2-9)11(18)7-19-12-14-13-8-16(12)10-3-4-10/h8-10,17H,1-7H2
InChIKeyAWCRUPOTRFFDRD-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.69
Rot. Bonds7

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

N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 43577090) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
PubChem CID43577090
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nncn1C1CC1)N(CCO)C1CC1
InChIInChI=1S/C12H18N4O2S/c17-6-5-15(9-1-2-9)11(18)7-19-12-14-13-8-16(12)10-3-4-10/h8-10,17H,1-7H2
InChIKeyAWCRUPOTRFFDRD-UHFFFAOYSA-N
XLogP0.69
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide (CID 43577090) is N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide is O=C(CSc1nncn1C1CC1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is AWCRUPOTRFFDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-6-5-15(9-1-2-9)11(18)7-19-12-14-13-8-16(12)10-3-4-10/h8-10,17H,1-7H2.
What are the key properties of N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide?
N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43577090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).