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

C9H16N4O — CID 148633432

IUPAC7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)n1nc2n(c1=O)CCN(C)C2
InChIInChI=1S/C9H16N4O/c1-7(2)13-9(14)12-5-4-11(3)6-8(12)10-13/h7H,4-6H2,1-3H3
InChIKeyNIPCOCCYYUHIIU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.07
Rot. Bonds1

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

7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 148633432) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID148633432
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)n1nc2n(c1=O)CCN(C)C2
InChIInChI=1S/C9H16N4O/c1-7(2)13-9(14)12-5-4-11(3)6-8(12)10-13/h7H,4-6H2,1-3H3
InChIKeyNIPCOCCYYUHIIU-UHFFFAOYSA-N
XLogP0.07
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

4-Ethyl-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one
CID 59305272
7-Tert-butyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 89949587
7-Propan-2-yl-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 126737425
2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130623014
Ethane;2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 143847947
2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 147018723
5-Methyl-2,4-di(propan-2-yl)-1,2,4-triazol-3-one
CID 153166811
4-Ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
CID 153405151
Ethane;4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
CID 153601290
2-ethyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 163429318
4-Propan-2-yl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
CID 166168023
2,4-Dimethyl-5-[[methyl(propan-2-yl)amino]methyl]-1,2,4-triazol-3-one
CID 170127918

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 148633432) is 7-methyl-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-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)n1nc2n(c1=O)CCN(C)C2.
What is the InChIKey of 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is NIPCOCCYYUHIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)13-9(14)12-5-4-11(3)6-8(12)10-13/h7H,4-6H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 148633432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).