5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H21N7 — CID 72706927

IUPAC5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3cncc(N4CCCC4)n3)nc2n1
InChIInChI=1S/C17H21N7/c1-12-9-13(2)24-17(19-12)21-15(22-24)6-5-14-10-18-11-16(20-14)23-7-3-4-8-23/h9-11H,3-8H2,1-2H3
InChIKeyRLPWDIXGEDQNHY-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.92
Rot. Bonds4

About 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 72706927) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID72706927
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3cncc(N4CCCC4)n3)nc2n1
InChIInChI=1S/C17H21N7/c1-12-9-13(2)24-17(19-12)21-15(22-24)6-5-14-10-18-11-16(20-14)23-7-3-4-8-23/h9-11H,3-8H2,1-2H3
InChIKeyRLPWDIXGEDQNHY-UHFFFAOYSA-N
XLogP1.92
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 72706927) is 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3cncc(N4CCCC4)n3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RLPWDIXGEDQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-9-13(2)24-17(19-12)21-15(22-24)6-5-14-10-18-11-16(20-14)23-7-3-4-8-23/h9-11H,3-8H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72706927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).