6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

C15H16FN5O — CID 167615181

IUPAC6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2cnc(-c3cnc(OC(C)(C)C)c(F)c3)cn12
InChIInChI=1S/C15H16FN5O/c1-9-19-20-13-7-17-12(8-21(9)13)10-5-11(16)14(18-6-10)22-15(2,3)4/h5-8H,1-4H3
InChIKeyHXVCXIOYKBMMDI-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.81
Rot. Bonds2

About 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167615181) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167615181
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nnc2cnc(-c3cnc(OC(C)(C)C)c(F)c3)cn12
InChIInChI=1S/C15H16FN5O/c1-9-19-20-13-7-17-12(8-21(9)13)10-5-11(16)14(18-6-10)22-15(2,3)4/h5-8H,1-4H3
InChIKeyHXVCXIOYKBMMDI-UHFFFAOYSA-N
XLogP2.81
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 167615181) is 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nnc2cnc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.
What is the InChIKey of 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HXVCXIOYKBMMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-9-19-20-13-7-17-12(8-21(9)13)10-5-11(16)14(18-6-10)22-15(2,3)4/h5-8H,1-4H3.
What are the key properties of 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 301.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167615181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).