2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H12N4O — CID 137004095

IUPAC2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(C)c(C)n2n1
InChIInChI=1S/C9H12N4O/c1-4-7-10-9-11-8(14)5(2)6(3)13(9)12-7/h4H2,1-3H3,(H,10,11,12,14)
InChIKeyRXXDBDMKLBVBLM-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.60
Rot. Bonds1

About 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004095) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004095
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(C)c(C)n2n1
InChIInChI=1S/C9H12N4O/c1-4-7-10-9-11-8(14)5(2)6(3)13(9)12-7/h4H2,1-3H3,(H,10,11,12,14)
InChIKeyRXXDBDMKLBVBLM-UHFFFAOYSA-N
XLogP0.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
7-(Difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165483683
5-methyl-3-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135572356
2,4,5,6-Tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287913
Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773977
3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one;ethane
CID 167462298
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135400051
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butanamide
CID 135456299
N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135456310
N-(2-ethyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylpropanamide
CID 135465164
2-methyl-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135465184
N-(5-oxo-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135519751

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004095) is 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)c(C)c(C)n2n1.
What is the InChIKey of 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RXXDBDMKLBVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-7-10-9-11-8(14)5(2)6(3)13(9)12-7/h4H2,1-3H3,(H,10,11,12,14).
What are the key properties of 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).