6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C16H13F3N4 — CID 161110476

IUPAC6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12
InChIInChI=1S/C16H13F3N4/c1-9(17)15-22-21-14-7-20-13(8-23(14)15)11-4-2-10(3-5-11)12-6-16(12,18)19/h2-5,7-9,12H,6H2,1H3/t9?,12-/m0/s1
InChIKeyYXLDLEKDQFVVPE-ACGXKRRESA-N
MW318.30 g/mol
LogP3.94
Rot. Bonds3

About 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 161110476) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID161110476
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC Name6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12
InChIInChI=1S/C16H13F3N4/c1-9(17)15-22-21-14-7-20-13(8-23(14)15)11-4-2-10(3-5-11)12-6-16(12,18)19/h2-5,7-9,12H,6H2,1H3/t9?,12-/m0/s1
InChIKeyYXLDLEKDQFVVPE-ACGXKRRESA-N
XLogP3.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 170286453
6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555490
[4-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol
CID 134543947
6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157221953
3-methyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 13199874
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
3-(3-fluoro-3-methylcyclobutyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157078316
3-[bromo(difluoro)methyl]-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370780
6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 136664249
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
CID 134555720
ethane;6-(4-fluorophenyl)-3-methylimidazo[1,2-a]pyrazine
CID 143706949
6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555560

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 161110476) is 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.
What is the InChIKey of 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YXLDLEKDQFVVPE-ACGXKRRESA-N. The full InChI is InChI=1S/C16H13F3N4/c1-9(17)15-22-21-14-7-20-13(8-23(14)15)11-4-2-10(3-5-11)12-6-16(12,18)19/h2-5,7-9,12H,6H2,1H3/t9?,12-/m0/s1.
What are the key properties of 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 318.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 161110476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).