2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine

C9H11ClN4 — CID 131059274

IUPAC2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(c1ccc(Cl)nn1)C2
InChIInChI=1S/C9H11ClN4/c10-7-1-2-8(13-12-7)14-4-5-3-6(14)9(5)11/h1-2,5-6,9H,3-4,11H2
InChIKeySZHDKNDIKZNKMR-UHFFFAOYSA-N
MW210.67 g/mol
LogP0.67
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine

2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 131059274) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID131059274
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(c1ccc(Cl)nn1)C2
InChIInChI=1S/C9H11ClN4/c10-7-1-2-8(13-12-7)14-4-5-3-6(14)9(5)11/h1-2,5-6,9H,3-4,11H2
InChIKeySZHDKNDIKZNKMR-UHFFFAOYSA-N
XLogP0.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9990719
(1R,6S)-3-(6-chloro-pyridazin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099085
2-(6-Chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 18007882
3-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 6412645
(1S,4S)-2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 10058979
(1S,4S)-2-(6-chloropyridazin-3-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 10082372
(1R,4R)-2-(6-chloropyridazin-3-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 10443633
2-(6-Chloropyridazin-3-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 44352619
CID 10861492
CID 10861492
(1S,6R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[4.2.0]octane
CID 16099115
5-(6-Chloropyridazin-3-yl)-2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptane
CID 44352534
2-(6-Chloro-5-methylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 44427085

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine (CID 131059274) is 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine is NC1C2CC1N(c1ccc(Cl)nn1)C2.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is SZHDKNDIKZNKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-7-1-2-8(13-12-7)14-4-5-3-6(14)9(5)11/h1-2,5-6,9H,3-4,11H2.
What are the key properties of 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 210.67 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 131059274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).