1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane

C9H12Cl2N4 — CID 3062483

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane
SMILESClc1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C9H12Cl2N4/c10-7-12-8(11)14-9(13-7)15-5-3-1-2-4-6-15/h1-6H2
InChIKeyILCNAEYNPUDNHG-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.56
Rot. Bonds1

About 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane

1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane (PubChem CID 3062483) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane
PubChem CID3062483
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane
SMILESClc1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C9H12Cl2N4/c10-7-12-8(11)14-9(13-7)15-5-3-1-2-4-6-15/h1-6H2
InChIKeyILCNAEYNPUDNHG-UHFFFAOYSA-N
XLogP2.56
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-(1-piperidinyl)-1,3,5-triazine
CID 209165
N,N-dibutyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 15355831
2,6-Diazaperhydroepinyl-4-chloro-1,3,5-triazine
CID 745256
6-(Azepan-1-yl)-1,3,5-triazine-2,4-diamine
CID 53648269
4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 10520613
4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine
CID 768159
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-diethyl-N',N'-dihexyl-
CID 558310
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-dihexyl-N',N'-dipropyl-
CID 620755
4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 14813052
4,6-dichloro-N-hexyl-N-methyl-1,3,5-triazin-2-amine
CID 59781977
N-butyl-4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
CID 60726765
6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 67414391

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane (CID 3062483) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane is Clc1nc(Cl)nc(N2CCCCCC2)n1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane?
The InChIKey is ILCNAEYNPUDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4/c10-7-12-8(11)14-9(13-7)15-5-3-1-2-4-6-15/h1-6H2.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane?
1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane has a molecular weight of 247.13 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane is sourced from PubChem (CID 3062483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).