2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H10N4O — CID 22957754

IUPAC2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2NC(C)=NC2N1
InChIInChI=1S/C7H10N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3,7-8H,1-2H3,(H,9,10)
InChIKeyFWXHDCKDOPCSMR-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.46
Rot. Bonds

About 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 22957754) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID22957754
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2NC(C)=NC2N1
InChIInChI=1S/C7H10N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3,7-8H,1-2H3,(H,9,10)
InChIKeyFWXHDCKDOPCSMR-UHFFFAOYSA-N
XLogP-0.46
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 22957754) is 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1=CC(=O)N2NC(C)=NC2N1.
What is the InChIKey of 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FWXHDCKDOPCSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4-3-6(12)11-7(8-4)9-5(2)10-11/h3,7-8H,1-2H3,(H,9,10).
What are the key properties of 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 166.18 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).