N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine

C9H13ClN4 — CID 62663579

IUPACN'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
SMILESClc1ccc(NCCNC2CC2)nn1
InChIInChI=1S/C9H13ClN4/c10-8-3-4-9(14-13-8)12-6-5-11-7-1-2-7/h3-4,7,11H,1-2,5-6H2,(H,12,14)
InChIKeyRRABOOKTNYWSFH-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.29
Rot. Bonds5

About N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine

N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine (PubChem CID 62663579) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
PubChem CID62663579
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC NameN'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
SMILESClc1ccc(NCCNC2CC2)nn1
InChIInChI=1S/C9H13ClN4/c10-8-3-4-9(14-13-8)12-6-5-11-7-1-2-7/h3-4,7,11H,1-2,5-6H2,(H,12,14)
InChIKeyRRABOOKTNYWSFH-UHFFFAOYSA-N
XLogP1.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
CID 60674018
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
6-chloro-N-(4-methylpentyl)pyridazin-3-amine
CID 61039068
6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 115520523
6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 91536558
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridazin-3-amine
CID 131048743
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118460
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine (CID 62663579) is N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine is Clc1ccc(NCCNC2CC2)nn1.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is RRABOOKTNYWSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-3-4-9(14-13-8)12-6-5-11-7-1-2-7/h3-4,7,11H,1-2,5-6H2,(H,12,14).
What are the key properties of N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine?
N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 212.68 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 62663579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).