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

C13H23N5 — CID 112958320

IUPACN,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(CC)c1nncc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-17(5-2)13-15-12(9-14-16-13)18-8-6-7-11(3)10-18/h9,11H,4-8,10H2,1-3H3
InChIKeyHQWVDGUDEKHELB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.95
Rot. Bonds4

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

N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112958320) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112958320
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN(CC)c1nncc(N2CCCC(C)C2)n1
InChIInChI=1S/C13H23N5/c1-4-17(5-2)13-15-12(9-14-16-13)18-8-6-7-11(3)10-18/h9,11H,4-8,10H2,1-3H3
InChIKeyHQWVDGUDEKHELB-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-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-benzyl-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112951735
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112956784
5-(4-methylpiperazin-1-yl)-3-(3-methylpiperidin-1-yl)-1,2,4-triazine
CID 112945837
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
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
5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112960612
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900
N-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112958320) is N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCN(CC)c1nncc(N2CCCC(C)C2)n1.
What is the InChIKey of N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is HQWVDGUDEKHELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-17(5-2)13-15-12(9-14-16-13)18-8-6-7-11(3)10-18/h9,11H,4-8,10H2,1-3H3.
What are the key properties of N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112958320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).