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

C8H12N4O — CID 58783814

IUPAC3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(C)c1nnc2n1CCNC2=O
InChIInChI=1S/C8H12N4O/c1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyTUOJYPONQHKMQR-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.14
Rot. Bonds1

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

3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 58783814) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID58783814
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(C)c1nnc2n1CCNC2=O
InChIInChI=1S/C8H12N4O/c1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyTUOJYPONQHKMQR-UHFFFAOYSA-N
XLogP0.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 58783814) is 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CC(C)c1nnc2n1CCNC2=O.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is TUOJYPONQHKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 180.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 58783814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).