2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H12N4O — CID 130287913

IUPAC2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2n(C)c(C)c(C)c(=O)n2n1
InChIInChI=1S/C9H12N4O/c1-5-6(2)12(4)9-10-7(3)11-13(9)8(5)14/h1-4H3
InChIKeyHWNCDHCTJGCEBE-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.35
Rot. Bonds

About 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130287913) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130287913
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2n(C)c(C)c(C)c(=O)n2n1
InChIInChI=1S/C9H12N4O/c1-5-6(2)12(4)9-10-7(3)11-13(9)8(5)14/h1-4H3
InChIKeyHWNCDHCTJGCEBE-UHFFFAOYSA-N
XLogP0.35
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130287913) is 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2n(C)c(C)c(C)c(=O)n2n1.
What is the InChIKey of 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HWNCDHCTJGCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-6(2)12(4)9-10-7(3)11-13(9)8(5)14/h1-4H3.
What are the key properties of 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 192.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130287913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).