2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H15N5 — CID 5308906

IUPAC2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C)nc2n1
InChIInChI=1S/C11H15N5/c1-8-7-10(15-5-3-4-6-15)16-11(12-8)13-9(2)14-16/h7H,3-6H2,1-2H3
InChIKeyZCWOVGMWBYRYTK-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.34
Rot. Bonds1

About 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 5308906) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID5308906
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(C)nc2n1
InChIInChI=1S/C11H15N5/c1-8-7-10(15-5-3-4-6-15)16-11(12-8)13-9(2)14-16/h7H,3-6H2,1-2H3
InChIKeyZCWOVGMWBYRYTK-UHFFFAOYSA-N
XLogP1.34
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 5308906) is 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZCWOVGMWBYRYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-7-10(15-5-3-4-6-15)16-11(12-8)13-9(2)14-16/h7H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5308906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).