6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile

C16H14N4 — CID 133421525

IUPAC6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2C3CCc4ccccc4C32)nn1
InChIInChI=1S/C16H14N4/c17-9-11-6-8-14(20-19-11)18-16-13-7-5-10-3-1-2-4-12(10)15(13)16/h1-4,6,8,13,15-16H,5,7H2,(H,18,20)
InChIKeyIQLCRWODWJOAQK-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.49
Rot. Bonds2

About 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile

6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile (PubChem CID 133421525) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile
PubChem CID133421525
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2C3CCc4ccccc4C32)nn1
InChIInChI=1S/C16H14N4/c17-9-11-6-8-14(20-19-11)18-16-13-7-5-10-3-1-2-4-12(10)15(13)16/h1-4,6,8,13,15-16H,5,7H2,(H,18,20)
InChIKeyIQLCRWODWJOAQK-UHFFFAOYSA-N
XLogP2.49
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile (CID 133421525) is 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile is N#Cc1ccc(NC2C3CCc4ccccc4C32)nn1.
What is the InChIKey of 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile?
The InChIKey is IQLCRWODWJOAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-9-11-6-8-14(20-19-11)18-16-13-7-5-10-3-1-2-4-12(10)15(13)16/h1-4,6,8,13,15-16H,5,7H2,(H,18,20).
What are the key properties of 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile?
6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)pyridazine-3-carbonitrile is sourced from PubChem (CID 133421525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).