6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C14H13F2N5O — CID 175773581

IUPAC6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@@H](Oc1ccc(-c2cn3cnnc3cn2)cn1)C(C)(F)F
InChIInChI=1S/C14H13F2N5O/c1-9(14(2,15)16)22-13-4-3-10(5-18-13)11-7-21-8-19-20-12(21)6-17-11/h3-9H,1-2H3/t9-/m1/s1
InChIKeyPILOBBBVWCFYIG-SECBINFHSA-N
MW305.29 g/mol
LogP2.61
Rot. Bonds4

About 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 175773581) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID175773581
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@@H](Oc1ccc(-c2cn3cnnc3cn2)cn1)C(C)(F)F
InChIInChI=1S/C14H13F2N5O/c1-9(14(2,15)16)22-13-4-3-10(5-18-13)11-7-21-8-19-20-12(21)6-17-11/h3-9H,1-2H3/t9-/m1/s1
InChIKeyPILOBBBVWCFYIG-SECBINFHSA-N
XLogP2.61
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

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
3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 149226272
6-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 146316108
3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 158044217
7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 158044214
7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155337969
6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine
CID 66277354
3-[difluoro(iodomethoxy)methyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163724544
3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;6-[2-methoxy-4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362424
6-[4-(difluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 156532975
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323
6-[6-(3,3-difluorobutan-2-yloxy)-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2,2-difluoro-3-methylpentane;6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;sulfane
CID 142362471

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 175773581) is 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is C[C@@H](Oc1ccc(-c2cn3cnnc3cn2)cn1)C(C)(F)F.
What is the InChIKey of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PILOBBBVWCFYIG-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F2N5O/c1-9(14(2,15)16)22-13-4-3-10(5-18-13)11-7-21-8-19-20-12(21)6-17-11/h3-9H,1-2H3/t9-/m1/s1.
What are the key properties of 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 305.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2R)-3,3-difluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 175773581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).