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

C11H18N4O — CID 130214710

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCn2ncnc2C1
InChIInChI=1S/C11H18N4O/c1-9(2)3-4-11(16)14-5-6-15-10(7-14)12-8-13-15/h8-9H,3-7H2,1-2H3
InChIKeyNIEMXNPMELVJHU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds3

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one (PubChem CID 130214710) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one
PubChem CID130214710
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCn2ncnc2C1
InChIInChI=1S/C11H18N4O/c1-9(2)3-4-11(16)14-5-6-15-10(7-14)12-8-13-15/h8-9H,3-7H2,1-2H3
InChIKeyNIEMXNPMELVJHU-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one (CID 130214710) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one is CC(C)CCC(=O)N1CCn2ncnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one?
The InChIKey is NIEMXNPMELVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(2)3-4-11(16)14-5-6-15-10(7-14)12-8-13-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one?
1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one is sourced from PubChem (CID 130214710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).