5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine

C12H18N4 — CID 123923661

IUPAC5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCC(C)(C)c1nc2c(C)ncc(C)n2n1
InChIInChI=1S/C12H18N4/c1-6-12(4,5)11-14-10-9(3)13-7-8(2)16(10)15-11/h7H,6H2,1-5H3
InChIKeyQCELHTSVONTBPN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.43
Rot. Bonds2

About 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 123923661) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID123923661
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCCC(C)(C)c1nc2c(C)ncc(C)n2n1
InChIInChI=1S/C12H18N4/c1-6-12(4,5)11-14-10-9(3)13-7-8(2)16(10)15-11/h7H,6H2,1-5H3
InChIKeyQCELHTSVONTBPN-UHFFFAOYSA-N
XLogP2.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 123923661) is 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine is CCC(C)(C)c1nc2c(C)ncc(C)n2n1.
What is the InChIKey of 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is QCELHTSVONTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-6-12(4,5)11-14-10-9(3)13-7-8(2)16(10)15-11/h7H,6H2,1-5H3.
What are the key properties of 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 218.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 123923661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).