N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine

C12H7Cl2N5 — CID 81035858

IUPACN-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine
SMILESClc1nnc(Cl)c(Nc2cccc3cccnc23)n1
InChIInChI=1S/C12H7Cl2N5/c13-10-11(17-12(14)19-18-10)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17,19)
InChIKeyGGADLSKGLXHDMI-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.47
Rot. Bonds2

About N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine

N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine (PubChem CID 81035858) has the molecular formula C12H7Cl2N5 and a molecular weight of 292.13 g/mol. Its IUPAC name is N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine.

Molecular Properties

Compound NameN-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine
PubChem CID81035858
Molecular FormulaC12H7Cl2N5
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC NameN-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine
SMILESClc1nnc(Cl)c(Nc2cccc3cccnc23)n1
InChIInChI=1S/C12H7Cl2N5/c13-10-11(17-12(14)19-18-10)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17,19)
InChIKeyGGADLSKGLXHDMI-UHFFFAOYSA-N
XLogP3.47
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
N-pyridin-2-ylquinolin-8-amine
CID 82537542
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
N-quinolin-8-ylhydroxylamine
CID 22011433
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
6-N-(2-chlorophenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527235
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
CID 67942644
N-(2-hydrazinyl-5-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926155
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 164853154

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine?
The IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine (CID 81035858) is N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine.
What is the SMILES notation for N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine?
The canonical SMILES for N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine is Clc1nnc(Cl)c(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine?
The InChIKey is GGADLSKGLXHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5/c13-10-11(17-12(14)19-18-10)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17,19).
What are the key properties of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine?
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine has a molecular weight of 292.13 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-8-amine is sourced from PubChem (CID 81035858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).