3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine

C12H15N3 — CID 170977632

IUPAC3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine
SMILESCCN1C=CCC(C2=CC=CC=NC2)=N1
InChIInChI=1S/C12H15N3/c1-2-15-9-5-7-12(14-15)11-6-3-4-8-13-10-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyUCSRTRQRIFYTLP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.15
Rot. Bonds2

About 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine

3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine (PubChem CID 170977632) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine.

Molecular Properties

Compound Name3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine
PubChem CID170977632
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine
SMILESCCN1C=CCC(C2=CC=CC=NC2)=N1
InChIInChI=1S/C12H15N3/c1-2-15-9-5-7-12(14-15)11-6-3-4-8-13-10-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyUCSRTRQRIFYTLP-UHFFFAOYSA-N
XLogP2.15
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(7Z)-N-methyl-7-prop-2-enylidene-1H-3-benzazepin-8-imine
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CID 162715422
(1Z,6Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine
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(1Z)-9-methyl-4,5-dihydro-3H-pyrido[1,2-b]diazocine
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CID 143842653

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine?
The IUPAC name of 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine (CID 170977632) is 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine.
What is the SMILES notation for 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine?
The canonical SMILES for 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine is CCN1C=CCC(C2=CC=CC=NC2)=N1.
What is the InChIKey of 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine?
The InChIKey is UCSRTRQRIFYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-15-9-5-7-12(14-15)11-6-3-4-8-13-10-11/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine?
3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine has a molecular weight of 201.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4H-pyridazin-3-yl)-2H-azepine is sourced from PubChem (CID 170977632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).