5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile

C11H11ClN8 — CID 102795399

IUPAC5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2CNC2)nn(-c2ccc(Cl)nn2)c1N
InChIInChI=1S/C11H11ClN8/c12-8-1-2-9(18-17-8)20-10(14)7(3-13)11(19-20)16-6-4-15-5-6/h1-2,6,15H,4-5,14H2,(H,16,19)
InChIKeyNUUSVDDLKKCJGQ-UHFFFAOYSA-N
MW290.72 g/mol
LogP0.15
Rot. Bonds3

About 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile

5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile (PubChem CID 102795399) has the molecular formula C11H11ClN8 and a molecular weight of 290.72 g/mol. Its IUPAC name is 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile
PubChem CID102795399
Molecular FormulaC11H11ClN8
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2CNC2)nn(-c2ccc(Cl)nn2)c1N
InChIInChI=1S/C11H11ClN8/c12-8-1-2-9(18-17-8)20-10(14)7(3-13)11(19-20)16-6-4-15-5-6/h1-2,6,15H,4-5,14H2,(H,16,19)
InChIKeyNUUSVDDLKKCJGQ-UHFFFAOYSA-N
XLogP0.15
TPSA117.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile (CID 102795399) is 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile is N#Cc1c(NC2CNC2)nn(-c2ccc(Cl)nn2)c1N.
What is the InChIKey of 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile?
The InChIKey is NUUSVDDLKKCJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN8/c12-8-1-2-9(18-17-8)20-10(14)7(3-13)11(19-20)16-6-4-15-5-6/h1-2,6,15H,4-5,14H2,(H,16,19).
What are the key properties of 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile?
5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile has a molecular weight of 290.72 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).