2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H15ClN4O — CID 69483857

IUPAC2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1nc(Cl)c2nn(C(C)(C)C)c(=O)n2c1C
InChIInChI=1S/C11H15ClN4O/c1-6-7(2)15-9(8(12)13-6)14-16(10(15)17)11(3,4)5/h1-5H3
InChIKeyCHVKFOZDWQNIKV-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.92
Rot. Bonds

About 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 69483857) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID69483857
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1nc(Cl)c2nn(C(C)(C)C)c(=O)n2c1C
InChIInChI=1S/C11H15ClN4O/c1-6-7(2)15-9(8(12)13-6)14-16(10(15)17)11(3,4)5/h1-5H3
InChIKeyCHVKFOZDWQNIKV-UHFFFAOYSA-N
XLogP1.92
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 69483857) is 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1nc(Cl)c2nn(C(C)(C)C)c(=O)n2c1C.
What is the InChIKey of 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is CHVKFOZDWQNIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-6-7(2)15-9(8(12)13-6)14-16(10(15)17)11(3,4)5/h1-5H3.
What are the key properties of 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 254.72 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 69483857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).