N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

C18H25N5 — CID 112951735

IUPACN-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1)c1nncc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H25N5/c1-3-22(14-16-9-5-4-6-10-16)18-20-17(12-19-21-18)23-11-7-8-15(2)13-23/h4-6,9-10,12,15H,3,7-8,11,13-14H2,1-2H3
InChIKeyCSWZSXDXLAOCIN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112951735) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112951735
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1)c1nncc(N2CCCC(C)C2)n1
InChIInChI=1S/C18H25N5/c1-3-22(14-16-9-5-4-6-10-16)18-20-17(12-19-21-18)23-11-7-8-15(2)13-23/h4-6,9-10,12,15H,3,7-8,11,13-14H2,1-2H3
InChIKeyCSWZSXDXLAOCIN-UHFFFAOYSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine 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

N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112958320
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112956784
N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112950368
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112916943
N-methyl-3-(3-methylpiperidin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112960710
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
CID 112945837

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112951735) is N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCN(Cc1ccccc1)c1nncc(N2CCCC(C)C2)n1.
What is the InChIKey of N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is CSWZSXDXLAOCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-22(14-16-9-5-4-6-10-16)18-20-17(12-19-21-18)23-11-7-8-15(2)13-23/h4-6,9-10,12,15H,3,7-8,11,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 311.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).