8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C9H12N4O — CID 94076840

IUPAC8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(C)n2c(=O)[nH]nc12
InChIInChI=1S/C9H12N4O/c1-4-7-5(2)10-6(3)13-8(7)11-12-9(13)14/h4H2,1-3H3,(H,12,14)
InChIKeyLPLBFEDTVAAMMI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.60
Rot. Bonds1

About 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076840) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076840
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(C)n2c(=O)[nH]nc12
InChIInChI=1S/C9H12N4O/c1-4-7-5(2)10-6(3)13-8(7)11-12-9(13)14/h4H2,1-3H3,(H,12,14)
InChIKeyLPLBFEDTVAAMMI-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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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076840) is 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCc1c(C)nc(C)n2c(=O)[nH]nc12.
What is the InChIKey of 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is LPLBFEDTVAAMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-7-5(2)10-6(3)13-8(7)11-12-9(13)14/h4H2,1-3H3,(H,12,14).
What are the key properties of 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-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 8-ethyl-5,7-dimethyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).