1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone

C16H17FN8O — CID 72886441

IUPAC1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCc1nnc2n1C(C)CN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2
InChIInChI=1S/C16H17FN8O/c1-10-7-23(8-14-19-18-11(2)25(10)14)15(26)9-24-21-16(20-22-24)12-3-5-13(17)6-4-12/h3-6,10H,7-9H2,1-2H3
InChIKeyRRIAENDUBIVJGN-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.98
Rot. Bonds3

About 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone

1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone (PubChem CID 72886441) has the molecular formula C16H17FN8O and a molecular weight of 356.37 g/mol. Its IUPAC name is 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
PubChem CID72886441
Molecular FormulaC16H17FN8O
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCc1nnc2n1C(C)CN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2
InChIInChI=1S/C16H17FN8O/c1-10-7-23(8-14-19-18-11(2)25(10)14)15(26)9-24-21-16(20-22-24)12-3-5-13(17)6-4-12/h3-6,10H,7-9H2,1-2H3
InChIKeyRRIAENDUBIVJGN-UHFFFAOYSA-N
XLogP0.98
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone with MolForge

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Related Compounds

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US11071721, Example 79
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2-[benzyl(methyl)amino]-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53569017
2-[benzyl(methyl)amino]-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53583182
2-[benzyl(methyl)amino]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone (CID 72886441) is 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone is Cc1nnc2n1C(C)CN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2.
What is the InChIKey of 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is RRIAENDUBIVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN8O/c1-10-7-23(8-14-19-18-11(2)25(10)14)15(26)9-24-21-16(20-22-24)12-3-5-13(17)6-4-12/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone has a molecular weight of 356.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 72886441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).