7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H16N4O2 — CID 177158791

IUPAC7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(=O)N1CCn2c(nn(C(C)C)c2=O)C1
InChIInChI=1S/C10H16N4O2/c1-7(2)14-10(16)13-5-4-12(8(3)15)6-9(13)11-14/h7H,4-6H2,1-3H3
InChIKeyRTZYFVGYNFOHJU-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.01
Rot. Bonds1

About 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 177158791) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID177158791
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(=O)N1CCn2c(nn(C(C)C)c2=O)C1
InChIInChI=1S/C10H16N4O2/c1-7(2)14-10(16)13-5-4-12(8(3)15)6-9(13)11-14/h7H,4-6H2,1-3H3
InChIKeyRTZYFVGYNFOHJU-UHFFFAOYSA-N
XLogP-0.01
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 177158791) is 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(=O)N1CCn2c(nn(C(C)C)c2=O)C1.
What is the InChIKey of 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is RTZYFVGYNFOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(2)14-10(16)13-5-4-12(8(3)15)6-9(13)11-14/h7H,4-6H2,1-3H3.
What are the key properties of 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 224.26 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 177158791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).