2-pyridazin-4-ylazepane

C10H15N3 — CID 104670038

IUPAC2-pyridazin-4-ylazepane
SMILESc1cc(C2CCCCCN2)cnn1
InChIInChI=1S/C10H15N3/c1-2-4-10(11-6-3-1)9-5-7-12-13-8-9/h5,7-8,10-11H,1-4,6H2
InChIKeyQSVNSKIGUDZJNG-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.68
Rot. Bonds1

About 2-pyridazin-4-ylazepane

2-pyridazin-4-ylazepane (PubChem CID 104670038) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-pyridazin-4-ylazepane.

Molecular Properties

Compound Name2-pyridazin-4-ylazepane
PubChem CID104670038
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-pyridazin-4-ylazepane
SMILESc1cc(C2CCCCCN2)cnn1
InChIInChI=1S/C10H15N3/c1-2-4-10(11-6-3-1)9-5-7-12-13-8-9/h5,7-8,10-11H,1-4,6H2
InChIKeyQSVNSKIGUDZJNG-UHFFFAOYSA-N
XLogP1.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
CID 138376376
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
(2S)-2-phenylpiperidine
CID 10997356
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(4-piperidin-2-yl-2-pyridinyl)methanol
CID 84772444
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
6-piperidin-2-ylquinoxaline
CID 171487792

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-ylazepane?
The IUPAC name of 2-pyridazin-4-ylazepane (CID 104670038) is 2-pyridazin-4-ylazepane.
What is the SMILES notation for 2-pyridazin-4-ylazepane?
The canonical SMILES for 2-pyridazin-4-ylazepane is c1cc(C2CCCCCN2)cnn1.
What is the InChIKey of 2-pyridazin-4-ylazepane?
The InChIKey is QSVNSKIGUDZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-4-10(11-6-3-1)9-5-7-12-13-8-9/h5,7-8,10-11H,1-4,6H2.
What are the key properties of 2-pyridazin-4-ylazepane?
2-pyridazin-4-ylazepane has a molecular weight of 177.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-ylazepane is sourced from PubChem (CID 104670038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).