3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane

C9H14N4O — CID 167462298

IUPAC3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane
SMILESCC.Cc1cc(=O)[nH]c2nnc(C)n12
InChIInChI=1S/C7H8N4O.C2H6/c1-4-3-6(12)8-7-10-9-5(2)11(4)7;1-2/h3H,1-2H3,(H,8,10,12);1-2H3
InChIKeyOQBDMCNAAVWTGD-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.06
Rot. Bonds

About 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane (PubChem CID 167462298) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane.

Molecular Properties

Compound Name3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane
PubChem CID167462298
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane
SMILESCC.Cc1cc(=O)[nH]c2nnc(C)n12
InChIInChI=1S/C7H8N4O.C2H6/c1-4-3-6(12)8-7-10-9-5(2)11(4)7;1-2/h3H,1-2H3,(H,8,10,12);1-2H3
InChIKeyOQBDMCNAAVWTGD-UHFFFAOYSA-N
XLogP1.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135984239
2,7-Dimethyl(1,2,4)triazolo(1,5-c)pyrimidin-5(6H)-one
CID 135406849
2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
2-((7-Hydroxy-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)methyl)isothiourea monohydrochloride
CID 135562713
2-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165474501
7-(Difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165483683
7-(Difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165786137
5-methyl-3-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135572356
3-methyl-5-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 155811456
7-amino-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 135465167
2-Methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773950
Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773977

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane?
The IUPAC name of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane (CID 167462298) is 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane.
What is the SMILES notation for 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane?
The canonical SMILES for 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane is CC.Cc1cc(=O)[nH]c2nnc(C)n12.
What is the InChIKey of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane?
The InChIKey is OQBDMCNAAVWTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.C2H6/c1-4-3-6(12)8-7-10-9-5(2)11(4)7;1-2/h3H,1-2H3,(H,8,10,12);1-2H3.
What are the key properties of 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane?
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane has a molecular weight of 194.24 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane is sourced from PubChem (CID 167462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).