N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine

C12H19ClN4 — CID 3227146

IUPACN-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine
SMILESClc1ccc(NCCN2CCCCCC2)nn1
InChIInChI=1S/C12H19ClN4/c13-11-5-6-12(16-15-11)14-7-10-17-8-3-1-2-4-9-17/h5-6H,1-4,7-10H2,(H,14,16)
InChIKeyUSJKUBBCKOYSNN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine

N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine (PubChem CID 3227146) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine
PubChem CID3227146
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine
SMILESClc1ccc(NCCN2CCCCCC2)nn1
InChIInChI=1S/C12H19ClN4/c13-11-5-6-12(16-15-11)14-7-10-17-8-3-1-2-4-9-17/h5-6H,1-4,7-10H2,(H,14,16)
InChIKeyUSJKUBBCKOYSNN-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-(1-piperazinyl)pyridazine
CID 5294926
3-Chloro-6-(cyclohexylamino)pyridazine
CID 3221059
3-Chloro-6-(1-piperidinyl)pyridazine
CID 558392
(1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9990719
3-(6-Chloropyridazin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 10198922
3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine
CID 7098865
1-(3-Chloro-6-pyridazinyl)-homopiperazine
CID 10104631
3-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine
CID 6418933
2-(6-Chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 18007882
3-(6-Chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 44590008
1-(6-Chloropyridazin-3-yl)azepane
CID 6401290
3-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 6412645

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine (CID 3227146) is N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine is Clc1ccc(NCCN2CCCCCC2)nn1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine?
The InChIKey is USJKUBBCKOYSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c13-11-5-6-12(16-15-11)14-7-10-17-8-3-1-2-4-9-17/h5-6H,1-4,7-10H2,(H,14,16).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine?
N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-6-chloropyridazin-3-amine is sourced from PubChem (CID 3227146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).