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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Related Compounds

5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 102796280
5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 102796539
5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
CID 102795652
ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate
CID 11859035
5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
CID 102795914
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273
3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515096
5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
CID 102796647
2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66185869
2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
CID 79867206
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
5-amino-3-(cyclopropylmethylamino)-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 102795506

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).