N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide

C9H12N4O — CID 106896192

IUPACN-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1cccnn1)C1CNC1
InChIInChI=1S/C9H12N4O/c14-9(7-4-10-5-7)11-6-8-2-1-3-12-13-8/h1-3,7,10H,4-6H2,(H,11,14)
InChIKeyQNFWSMGPMNPEEN-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.69
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide

N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide (PubChem CID 106896192) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
PubChem CID106896192
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCc1cccnn1)C1CNC1
InChIInChI=1S/C9H12N4O/c14-9(7-4-10-5-7)11-6-8-2-1-3-12-13-8/h1-3,7,10H,4-6H2,(H,11,14)
InChIKeyQNFWSMGPMNPEEN-UHFFFAOYSA-N
XLogP-0.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896121
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010
2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
CID 106896052
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
3-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)propanamide
CID 106896105
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
CID 106896257
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
N-[(6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983299
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide (CID 106896192) is N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide is O=C(NCc1cccnn1)C1CNC1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide?
The InChIKey is QNFWSMGPMNPEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9(7-4-10-5-7)11-6-8-2-1-3-12-13-8/h1-3,7,10H,4-6H2,(H,11,14).
What are the key properties of N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide?
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 106896192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).