3-(azetidin-3-ylamino)pyridazine-4-carbonitrile

C8H9N5 — CID 80515096

IUPAC3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NC1CNC1
InChIInChI=1S/C8H9N5/c9-3-6-1-2-11-13-8(6)12-7-4-10-5-7/h1-2,7,10H,4-5H2,(H,12,13)
InChIKeyYNSPQDCHDIWWMW-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.27
Rot. Bonds2

About 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile

3-(azetidin-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 80515096) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
PubChem CID80515096
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NC1CNC1
InChIInChI=1S/C8H9N5/c9-3-6-1-2-11-13-8(6)12-7-4-10-5-7/h1-2,7,10H,4-5H2,(H,12,13)
InChIKeyYNSPQDCHDIWWMW-UHFFFAOYSA-N
XLogP-0.27
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile (CID 80515096) is 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is YNSPQDCHDIWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-3-6-1-2-11-13-8(6)12-7-4-10-5-7/h1-2,7,10H,4-5H2,(H,12,13).
What are the key properties of 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile?
3-(azetidin-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80515096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).