5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine

C11H18N4 — CID 105459668

IUPAC5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
SMILESCCc1cnnc(CC2CCNCC2)n1
InChIInChI=1S/C11H18N4/c1-2-10-8-13-15-11(14-10)7-9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyRPGZKTIHORRWCF-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.98
Rot. Bonds3

About 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine

5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine (PubChem CID 105459668) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
PubChem CID105459668
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
SMILESCCc1cnnc(CC2CCNCC2)n1
InChIInChI=1S/C11H18N4/c1-2-10-8-13-15-11(14-10)7-9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyRPGZKTIHORRWCF-UHFFFAOYSA-N
XLogP0.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
CID 105446545
5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine
CID 105437732
4-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685078
5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine
CID 105476730
3-piperidin-4-yl-5-propyl-1,2,4-triazine
CID 105459553
5-bromo-3-(piperidin-4-ylmethyl)pyridazine
CID 117105469
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
7-ethyl-3-methyl-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 90791059
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine
CID 104605510

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine?
The IUPAC name of 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine (CID 105459668) is 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine.
What is the SMILES notation for 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine?
The canonical SMILES for 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine is CCc1cnnc(CC2CCNCC2)n1.
What is the InChIKey of 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine?
The InChIKey is RPGZKTIHORRWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-10-8-13-15-11(14-10)7-9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine?
5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine has a molecular weight of 206.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine is sourced from PubChem (CID 105459668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).