N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

C14H15Cl2N5 — CID 112941981

IUPACN-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESClc1cccc(Cl)c1Nc1nncc(N2CCCCC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-10-5-4-6-11(16)13(10)19-14-18-12(9-17-20-14)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H,18,19,20)
InChIKeyFPPPNXFJMGXSFL-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.91
Rot. Bonds3

About N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941981) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941981
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC NameN-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESClc1cccc(Cl)c1Nc1nncc(N2CCCCC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-10-5-4-6-11(16)13(10)19-14-18-12(9-17-20-14)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H,18,19,20)
InChIKeyFPPPNXFJMGXSFL-UHFFFAOYSA-N
XLogP3.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
1-[4-[3-(2,6-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946986
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941921
5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
2-[[5-(azepan-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112961346
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
1-[4-[3-(2,3-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946987
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941981) is N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is Clc1cccc(Cl)c1Nc1nncc(N2CCCCC2)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is FPPPNXFJMGXSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c15-10-5-4-6-11(16)13(10)19-14-18-12(9-17-20-14)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8H2,(H,18,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 324.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).