1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one

C11H18N4O — CID 110722392

IUPAC1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
SMILESCCCCC(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C11H18N4O/c1-3-4-5-11(16)14-6-7-15-9(2)12-13-10(15)8-14/h3-8H2,1-2H3
InChIKeyVTUXTDLLSMQQTG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds3

About 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one

1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one (PubChem CID 110722392) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
PubChem CID110722392
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
SMILESCCCCC(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C11H18N4O/c1-3-4-5-11(16)14-6-7-15-9(2)12-13-10(15)8-14/h3-8H2,1-2H3
InChIKeyVTUXTDLLSMQQTG-UHFFFAOYSA-N
XLogP1.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
The IUPAC name of 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one (CID 110722392) is 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one.
What is the SMILES notation for 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
The canonical SMILES for 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one is CCCCC(=O)N1CCn2c(C)nnc2C1.
What is the InChIKey of 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
The InChIKey is VTUXTDLLSMQQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-4-5-11(16)14-6-7-15-9(2)12-13-10(15)8-14/h3-8H2,1-2H3.
What are the key properties of 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one is sourced from PubChem (CID 110722392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).