1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid

C9H8N4O2 — CID 80508256

IUPAC1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
SMILESN#Cc1ccnnc1N1CC(C(=O)O)C1
InChIInChI=1S/C9H8N4O2/c10-3-6-1-2-11-12-8(6)13-4-7(5-13)9(14)15/h1-2,7H,4-5H2,(H,14,15)
InChIKeyPHYPJZKSJHYVPI-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.13
Rot. Bonds2

About 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid

1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid (PubChem CID 80508256) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
PubChem CID80508256
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
SMILESN#Cc1ccnnc1N1CC(C(=O)O)C1
InChIInChI=1S/C9H8N4O2/c10-3-6-1-2-11-12-8(6)13-4-7(5-13)9(14)15/h1-2,7H,4-5H2,(H,14,15)
InChIKeyPHYPJZKSJHYVPI-UHFFFAOYSA-N
XLogP-0.13
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
CID 80509567
3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 114536895
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-(1,3-dihydroisoindol-2-yl)pyridazine-4-carbonitrile
CID 80509508
2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 126900417
3-[1-(4-cyanopyridazin-3-yl)piperidin-4-yl]oxypropanoic acid
CID 80508688
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
3-piperazin-1-ylpyridazine-4-carbonitrile
CID 80507407
3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 80516202
1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 80508592

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid (CID 80508256) is 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid is N#Cc1ccnnc1N1CC(C(=O)O)C1.
What is the InChIKey of 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid?
The InChIKey is PHYPJZKSJHYVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-3-6-1-2-11-12-8(6)13-4-7(5-13)9(14)15/h1-2,7H,4-5H2,(H,14,15).
What are the key properties of 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid?
1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 80508256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).