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

C12H20N4O2S — CID 43572933

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C12H20N4O2S/c1-9(2)15(5-6-17)11(18)7-19-12-14-13-8-16(12)10-3-4-10/h8-10,17H,3-7H2,1-2H3
InChIKeyGZCVZEXSMFCJIE-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.93
Rot. Bonds7

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

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43572933) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43572933
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C12H20N4O2S/c1-9(2)15(5-6-17)11(18)7-19-12-14-13-8-16(12)10-3-4-10/h8-10,17H,3-7H2,1-2H3
InChIKeyGZCVZEXSMFCJIE-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43572933) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)CSc1nncn1C1CC1.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is GZCVZEXSMFCJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(2)15(5-6-17)11(18)7-19-12-14-13-8-16(12)10-3-4-10/h8-10,17H,3-7H2,1-2H3.
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 284.39 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).