2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C23H26N8O — CID 71278202

IUPAC2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccccc2nc1-c1nc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1
InChIInChI=1S/C23H26N8O/c1-15-21(26-18-7-3-2-6-17(18)24-15)22-28-23-27-19(30-10-4-5-11-30)14-20(31(23)29-22)25-16-8-12-32-13-9-16/h2-3,6-7,14,16,25H,4-5,8-13H2,1H3
InChIKeyZHJRMZVCRPEPNP-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71278202) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71278202
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccccc2nc1-c1nc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1
InChIInChI=1S/C23H26N8O/c1-15-21(26-18-7-3-2-6-17(18)24-15)22-28-23-27-19(30-10-4-5-11-30)14-20(31(23)29-22)25-16-8-12-32-13-9-16/h2-3,6-7,14,16,25H,4-5,8-13H2,1H3
InChIKeyZHJRMZVCRPEPNP-UHFFFAOYSA-N
XLogP3.23
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71278202) is 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccccc2nc1-c1nc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZHJRMZVCRPEPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-15-21(26-18-7-3-2-6-17(18)24-15)22-28-23-27-19(30-10-4-5-11-30)14-20(31(23)29-22)25-16-8-12-32-13-9-16/h2-3,6-7,14,16,25H,4-5,8-13H2,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 430.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71278202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).