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

C9H12N4O — CID 6499305

IUPAC6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(C)[nH]n2c1=O
InChIInChI=1S/C9H12N4O/c1-4-7-5(2)10-9-11-6(3)12-13(9)8(7)14/h4H2,1-3H3,(H,10,11,12)
InChIKeyNBSRPSNFYPBKIX-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.60
Rot. Bonds1

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

6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6499305) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6499305
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(C)[nH]n2c1=O
InChIInChI=1S/C9H12N4O/c1-4-7-5(2)10-9-11-6(3)12-13(9)8(7)14/h4H2,1-3H3,(H,10,11,12)
InChIKeyNBSRPSNFYPBKIX-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 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6499305) is 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2nc(C)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NBSRPSNFYPBKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-7-5(2)10-9-11-6(3)12-13(9)8(7)14/h4H2,1-3H3,(H,10,11,12).
What are the key properties of 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6499305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).