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

C18H25N5 — CID 112960612

IUPAC5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine
SMILESCC1CCCN(c2cnnc(Nc3ccc(C(C)C)cc3)n2)C1
InChIInChI=1S/C18H25N5/c1-13(2)15-6-8-16(9-7-15)20-18-21-17(11-19-22-18)23-10-4-5-14(3)12-23/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,20,21,22)
InChIKeyLCZFZPZZWGFYQJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.97
Rot. Bonds4

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

5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112960612) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine
PubChem CID112960612
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine
SMILESCC1CCCN(c2cnnc(Nc3ccc(C(C)C)cc3)n2)C1
InChIInChI=1S/C18H25N5/c1-13(2)15-6-8-16(9-7-15)20-18-21-17(11-19-22-18)23-10-4-5-14(3)12-23/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,20,21,22)
InChIKeyLCZFZPZZWGFYQJ-UHFFFAOYSA-N
XLogP3.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-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-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
5-(3-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 112960645
N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112950368
N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926067
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960690
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648
N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112958320
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine (CID 112960612) is 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine is CC1CCCN(c2cnnc(Nc3ccc(C(C)C)cc3)n2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is LCZFZPZZWGFYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13(2)15-6-8-16(9-7-15)20-18-21-17(11-19-22-18)23-10-4-5-14(3)12-23/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,20,21,22).
What are the key properties of 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine?
5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 311.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).