N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H17N5OS — CID 2618729

IUPACN-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CC2)nnc1-c1ccncc1
InChIInChI=1S/C14H17N5OS/c1-2-19-13(10-5-7-15-8-6-10)17-18-14(19)21-9-12(20)16-11-3-4-11/h5-8,11H,2-4,9H2,1H3,(H,16,20)
InChIKeyYCWSNGQOUHORNT-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.73
Rot. Bonds6

About N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2618729) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2618729
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CC2)nnc1-c1ccncc1
InChIInChI=1S/C14H17N5OS/c1-2-19-13(10-5-7-15-8-6-10)17-18-14(19)21-9-12(20)16-11-3-4-11/h5-8,11H,2-4,9H2,1H3,(H,16,20)
InChIKeyYCWSNGQOUHORNT-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.73
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-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2618729) is N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(SCC(=O)NC2CC2)nnc1-c1ccncc1.
What is the InChIKey of N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YCWSNGQOUHORNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-19-13(10-5-7-15-8-6-10)17-18-14(19)21-9-12(20)16-11-3-4-11/h5-8,11H,2-4,9H2,1H3,(H,16,20).
What are the key properties of N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2618729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).