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

C16H19Cl2N5 — CID 160542934

IUPAC6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1(C)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19Cl2N5/c1-16(2)6-8-23(9-7-16)15-20-14(19)13(21-22-15)10-4-3-5-11(17)12(10)18/h3-5H,6-9H2,1-2H3,(H2,19,20,22)
InChIKeyWLTOENGCTVRAFS-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.05
Rot. Bonds2

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

6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 160542934) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID160542934
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCC1(C)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19Cl2N5/c1-16(2)6-8-23(9-7-16)15-20-14(19)13(21-22-15)10-4-3-5-11(17)12(10)18/h3-5H,6-9H2,1-2H3,(H2,19,20,22)
InChIKeyWLTOENGCTVRAFS-UHFFFAOYSA-N
XLogP4.05
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[[1-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-3-methylpyrrolidin-3-yl]amino]-3-methoxypropan-2-ol
CID 118166204
5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;5-chloro-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-amine;6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine;3-(2,3-dichlorophenyl)-6-(4-ethylpiperidin-1-yl)pyrazin-2-amine
CID 160542933
(2S)-1-[4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 118190245
(2R)-1-[8-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-1,8-diazaspiro[3.5]nonan-1-yl]butan-2-ol
CID 126653273
1-[4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-3-(cyclobutylmethoxy)propan-2-ol
CID 118166275
6-(2,3-dichlorophenyl)-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]-1,2,4-triazin-5-amine;hydrochloride
CID 126643423
(2S)-1-[4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 118166329
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
3-[4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2-(hydroxymethyl)piperazin-1-yl]propane-1,2-diol
CID 123597264
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine
CID 134183200

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 160542934) is 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine is CC1(C)CCN(c2nnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is WLTOENGCTVRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-16(2)6-8-23(9-7-16)15-20-14(19)13(21-22-15)10-4-3-5-11(17)12(10)18/h3-5H,6-9H2,1-2H3,(H2,19,20,22).
What are the key properties of 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 352.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 160542934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).