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

C18H22N6 — CID 72706805

IUPAC5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3cccc(N4CCCC4)n3)nc2n1
InChIInChI=1S/C18H22N6/c1-13-12-14(2)24-18(19-13)21-16(22-24)9-8-15-6-5-7-17(20-15)23-10-3-4-11-23/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyGWCKPBKMZGOQLR-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.52
Rot. Bonds4

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

5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 72706805) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID72706805
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3cccc(N4CCCC4)n3)nc2n1
InChIInChI=1S/C18H22N6/c1-13-12-14(2)24-18(19-13)21-16(22-24)9-8-15-6-5-7-17(20-15)23-10-3-4-11-23/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyGWCKPBKMZGOQLR-UHFFFAOYSA-N
XLogP2.52
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 72706805) is 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3cccc(N4CCCC4)n3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GWCKPBKMZGOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-12-14(2)24-18(19-13)21-16(22-24)9-8-15-6-5-7-17(20-15)23-10-3-4-11-23/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 322.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).