2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine

C20H17FN6O — CID 11257380

IUPAC2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1
InChIInChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3
InChIKeyJTBHLQXMGZKKRH-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine

2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 11257380) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID11257380
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1
InChIInChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3
InChIKeyJTBHLQXMGZKKRH-UHFFFAOYSA-N
XLogP3.55
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 11257380) is 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is JTBHLQXMGZKKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 376.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 11257380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).