5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

C12H17N5 — CID 63144720

IUPAC5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(C3(C)CCNC3)nnc2n1
InChIInChI=1S/C12H17N5/c1-8-6-9(2)17-10(15-16-11(17)14-8)12(3)4-5-13-7-12/h6,13H,4-5,7H2,1-3H3
InChIKeySJXKBFIPZLUXGA-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.99
Rot. Bonds1

About 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 63144720) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID63144720
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(C3(C)CCNC3)nnc2n1
InChIInChI=1S/C12H17N5/c1-8-6-9(2)17-10(15-16-11(17)14-8)12(3)4-5-13-7-12/h6,13H,4-5,7H2,1-3H3
InChIKeySJXKBFIPZLUXGA-UHFFFAOYSA-N
XLogP0.99
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 63144720) is 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1cc(C)n2c(C3(C)CCNC3)nnc2n1.
What is the InChIKey of 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is SJXKBFIPZLUXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-6-9(2)17-10(15-16-11(17)14-8)12(3)4-5-13-7-12/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(3-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 63144720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).