[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone

C14H18F2N6O — CID 136553828

IUPAC[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)nn1C(C)C
InChIInChI=1S/C14H18F2N6O/c1-8(2)22-9(3)6-10(19-22)14(23)20-4-5-21-11(7-20)17-18-13(21)12(15)16/h6,8,12H,4-5,7H2,1-3H3
InChIKeyQTNSWHPFGBZZQM-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.96
Rot. Bonds3

About [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone

[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 136553828) has the molecular formula C14H18F2N6O and a molecular weight of 324.34 g/mol. Its IUPAC name is [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID136553828
Molecular FormulaC14H18F2N6O
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC Name[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)nn1C(C)C
InChIInChI=1S/C14H18F2N6O/c1-8(2)22-9(3)6-10(19-22)14(23)20-4-5-21-11(7-20)17-18-13(21)12(15)16/h6,8,12H,4-5,7H2,1-3H3
InChIKeyQTNSWHPFGBZZQM-UHFFFAOYSA-N
XLogP1.96
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone (CID 136553828) is [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCn3c(nnc3C(F)F)C2)nn1C(C)C.
What is the InChIKey of [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is QTNSWHPFGBZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6O/c1-8(2)22-9(3)6-10(19-22)14(23)20-4-5-21-11(7-20)17-18-13(21)12(15)16/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone?
[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 324.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 136553828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).