2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine

C18H25N7 — CID 75201421

IUPAC2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cn2nc(C)c(C)c2nc1CCc1nc(N2CCCC2)nn1C
InChIInChI=1S/C18H25N7/c1-12-11-25-17(13(2)14(3)21-25)19-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-10H2,1-4H3
InChIKeyAELWYBLTGLRPGW-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.17
Rot. Bonds4

About 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine

2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 75201421) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine
PubChem CID75201421
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cn2nc(C)c(C)c2nc1CCc1nc(N2CCCC2)nn1C
InChIInChI=1S/C18H25N7/c1-12-11-25-17(13(2)14(3)21-25)19-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-10H2,1-4H3
InChIKeyAELWYBLTGLRPGW-UHFFFAOYSA-N
XLogP2.17
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine (CID 75201421) is 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine is Cc1cn2nc(C)c(C)c2nc1CCc1nc(N2CCCC2)nn1C.
What is the InChIKey of 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is AELWYBLTGLRPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-12-11-25-17(13(2)14(3)21-25)19-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-10H2,1-4H3.
What are the key properties of 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75201421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).