N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide

C15H13F2N5O2 — CID 121019791

IUPACN-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide
SMILESCCOc1nccn2c(CNC(=O)c3c(F)cccc3F)nnc12
InChIInChI=1S/C15H13F2N5O2/c1-2-24-15-13-21-20-11(22(13)7-6-18-15)8-19-14(23)12-9(16)4-3-5-10(12)17/h3-7H,2,8H2,1H3,(H,19,23)
InChIKeyPCVMIKFMUGKGRM-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.73
Rot. Bonds5

About N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide

N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide (PubChem CID 121019791) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide
PubChem CID121019791
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC NameN-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide
SMILESCCOc1nccn2c(CNC(=O)c3c(F)cccc3F)nnc12
InChIInChI=1S/C15H13F2N5O2/c1-2-24-15-13-21-20-11(22(13)7-6-18-15)8-19-14(23)12-9(16)4-3-5-10(12)17/h3-7H,2,8H2,1H3,(H,19,23)
InChIKeyPCVMIKFMUGKGRM-UHFFFAOYSA-N
XLogP1.73
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 119102561
4-ethoxy-N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-fluorobenzenesulfonamide
CID 121181790
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 27848565
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]thiophene-3-carboxamide
CID 121019776
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
CID 119102521
2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 18126347
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-phenylsulfanylpropanamide
CID 121181722
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
ethyl (2R)-2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate
CID 7502478

Frequently Asked Questions

What is the IUPAC name of N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide (CID 121019791) is N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide is CCOc1nccn2c(CNC(=O)c3c(F)cccc3F)nnc12.
What is the InChIKey of N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide?
The InChIKey is PCVMIKFMUGKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-2-24-15-13-21-20-11(22(13)7-6-18-15)8-19-14(23)12-9(16)4-3-5-10(12)17/h3-7H,2,8H2,1H3,(H,19,23).
What are the key properties of N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide?
N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide has a molecular weight of 333.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 121019791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).