2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide

C14H14N6O2S — CID 2482385

IUPAC2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1
InChIInChI=1S/C14H14N6O2S/c1-15-12(21)9-23-14-19-18-13(11-7-16-4-5-17-11)20(14)8-10-3-2-6-22-10/h2-7H,8-9H2,1H3,(H,15,21)
InChIKeyKEVYYZUGAODTDQ-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.21
Rot. Bonds6

About 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide

2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide (PubChem CID 2482385) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
PubChem CID2482385
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1
InChIInChI=1S/C14H14N6O2S/c1-15-12(21)9-23-14-19-18-13(11-7-16-4-5-17-11)20(14)8-10-3-2-6-22-10/h2-7H,8-9H2,1H3,(H,15,21)
InChIKeyKEVYYZUGAODTDQ-UHFFFAOYSA-N
XLogP1.21
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide (CID 2482385) is 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide is CNC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1.
What is the InChIKey of 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide?
The InChIKey is KEVYYZUGAODTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-15-12(21)9-23-14-19-18-13(11-7-16-4-5-17-11)20(14)8-10-3-2-6-22-10/h2-7H,8-9H2,1H3,(H,15,21).
What are the key properties of 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide?
2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide has a molecular weight of 330.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 2482385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).