5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H26N6 — CID 53202342

IUPAC5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(CN3CCCC(C)C3)nc2n1
InChIInChI=1S/C17H26N6/c1-13-6-5-7-21(11-13)12-15-19-17-18-14(2)10-16(23(17)20-15)22-8-3-4-9-22/h10,13H,3-9,11-12H2,1-2H3
InChIKeyLGERQUGDJDBZHF-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.26
Rot. Bonds3

About 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202342) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202342
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC2)n2nc(CN3CCCC(C)C3)nc2n1
InChIInChI=1S/C17H26N6/c1-13-6-5-7-21(11-13)12-15-19-17-18-14(2)10-16(23(17)20-15)22-8-3-4-9-22/h10,13H,3-9,11-12H2,1-2H3
InChIKeyLGERQUGDJDBZHF-UHFFFAOYSA-N
XLogP2.26
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[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-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202342) is 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC2)n2nc(CN3CCCC(C)C3)nc2n1.
What is the InChIKey of 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LGERQUGDJDBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-6-5-7-21(11-13)12-15-19-17-18-14(2)10-16(23(17)20-15)22-8-3-4-9-22/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).