2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C10H14N4O — CID 137004083

IUPAC2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(CC)c(C)n2n1
InChIInChI=1S/C10H14N4O/c1-4-7-6(3)14-10(12-9(7)15)11-8(5-2)13-14/h4-5H2,1-3H3,(H,11,12,13,15)
InChIKeyDQBGRVIAIPFNCF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.85
Rot. Bonds2

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

2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004083) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004083
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(CC)c(C)n2n1
InChIInChI=1S/C10H14N4O/c1-4-7-6(3)14-10(12-9(7)15)11-8(5-2)13-14/h4-5H2,1-3H3,(H,11,12,13,15)
InChIKeyDQBGRVIAIPFNCF-UHFFFAOYSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004083) is 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)c(CC)c(C)n2n1.
What is the InChIKey of 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DQBGRVIAIPFNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-7-6(3)14-10(12-9(7)15)11-8(5-2)13-14/h4-5H2,1-3H3,(H,11,12,13,15).
What are the key properties of 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 206.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).