1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine

C17H27N7 — CID 45205552

IUPAC1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine
SMILESCc1cc(C)nc(N2CCCC(Cn3cc(CN(C)C)nn3)C2)n1
InChIInChI=1S/C17H27N7/c1-13-8-14(2)19-17(18-13)23-7-5-6-15(9-23)10-24-12-16(20-21-24)11-22(3)4/h8,12,15H,5-7,9-11H2,1-4H3
InChIKeyOPOZDKGWTFBVRY-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.66
Rot. Bonds5

About 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine

1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 45205552) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine
PubChem CID45205552
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine
SMILESCc1cc(C)nc(N2CCCC(Cn3cc(CN(C)C)nn3)C2)n1
InChIInChI=1S/C17H27N7/c1-13-8-14(2)19-17(18-13)23-7-5-6-15(9-23)10-24-12-16(20-21-24)11-22(3)4/h8,12,15H,5-7,9-11H2,1-4H3
InChIKeyOPOZDKGWTFBVRY-UHFFFAOYSA-N
XLogP1.66
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine 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 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine (CID 45205552) is 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine is Cc1cc(C)nc(N2CCCC(Cn3cc(CN(C)C)nn3)C2)n1.
What is the InChIKey of 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is OPOZDKGWTFBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-13-8-14(2)19-17(18-13)23-7-5-6-15(9-23)10-24-12-16(20-21-24)11-22(3)4/h8,12,15H,5-7,9-11H2,1-4H3.
What are the key properties of 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine?
1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 329.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 45205552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).