5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine

C17H22N8 — CID 90024951

IUPAC5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESC/C(=C\c1nc2c(C)ncc(C)n2n1)c1nc(N2CCCC2)nn1C
InChIInChI=1S/C17H22N8/c1-11(15-20-17(22-23(15)4)24-7-5-6-8-24)9-14-19-16-13(3)18-10-12(2)25(16)21-14/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyJOJTYCGNTUWTPM-PKNBQFBNSA-N
MW338.42 g/mol
LogP2.03
Rot. Bonds3

About 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 90024951) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID90024951
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESC/C(=C\c1nc2c(C)ncc(C)n2n1)c1nc(N2CCCC2)nn1C
InChIInChI=1S/C17H22N8/c1-11(15-20-17(22-23(15)4)24-7-5-6-8-24)9-14-19-16-13(3)18-10-12(2)25(16)21-14/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyJOJTYCGNTUWTPM-PKNBQFBNSA-N
XLogP2.03
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 90024951) is 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine is C/C(=C\c1nc2c(C)ncc(C)n2n1)c1nc(N2CCCC2)nn1C.
What is the InChIKey of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is JOJTYCGNTUWTPM-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H22N8/c1-11(15-20-17(22-23(15)4)24-7-5-6-8-24)9-14-19-16-13(3)18-10-12(2)25(16)21-14/h9-10H,5-8H2,1-4H3/b11-9+.
What are the key properties of 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)prop-1-enyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 90024951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).