3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one

C13H21N5O — CID 90033394

IUPAC3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one
SMILESCCC(C)C(C(=O)N1CCNCC1)c1ncncn1
InChIInChI=1S/C13H21N5O/c1-3-10(2)11(12-16-8-15-9-17-12)13(19)18-6-4-14-5-7-18/h8-11,14H,3-7H2,1-2H3
InChIKeyPFUAMXFAGKNCQK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.43
Rot. Bonds4

About 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one

3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one (PubChem CID 90033394) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one
PubChem CID90033394
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one
SMILESCCC(C)C(C(=O)N1CCNCC1)c1ncncn1
InChIInChI=1S/C13H21N5O/c1-3-10(2)11(12-16-8-15-9-17-12)13(19)18-6-4-14-5-7-18/h8-11,14H,3-7H2,1-2H3
InChIKeyPFUAMXFAGKNCQK-UHFFFAOYSA-N
XLogP0.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one?
The IUPAC name of 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one (CID 90033394) is 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one?
The canonical SMILES for 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one is CCC(C)C(C(=O)N1CCNCC1)c1ncncn1.
What is the InChIKey of 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one?
The InChIKey is PFUAMXFAGKNCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-10(2)11(12-16-8-15-9-17-12)13(19)18-6-4-14-5-7-18/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one?
3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperazin-1-yl-2-(1,3,5-triazin-2-yl)pentan-1-one is sourced from PubChem (CID 90033394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).