2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H12N4O — CID 137004073

IUPAC2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(CC)n2n1
InChIInChI=1S/C9H12N4O/c1-3-6-5-8(14)11-9-10-7(4-2)12-13(6)9/h5H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKeyXQQYAZJBUBAWJF-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.54
Rot. Bonds2

About 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004073) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004073
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(CC)n2n1
InChIInChI=1S/C9H12N4O/c1-3-6-5-8(14)11-9-10-7(4-2)12-13(6)9/h5H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKeyXQQYAZJBUBAWJF-UHFFFAOYSA-N
XLogP0.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004073) is 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(CC)n2n1.
What is the InChIKey of 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XQQYAZJBUBAWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-6-5-8(14)11-9-10-7(4-2)12-13(6)9/h5H,3-4H2,1-2H3,(H,10,11,12,14).
What are the key properties of 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).