propyl 1H-pyridazine-2-carboxylate

C8H12N2O2 — CID 151125761

IUPACpropyl 1H-pyridazine-2-carboxylate
SMILESCCCOC(=O)N1C=CC=CN1
InChIInChI=1S/C8H12N2O2/c1-2-7-12-8(11)10-6-4-3-5-9-10/h3-6,9H,2,7H2,1H3
InChIKeyMTDUBVHEOWFCOY-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.38
Rot. Bonds2

About propyl 1H-pyridazine-2-carboxylate

propyl 1H-pyridazine-2-carboxylate (PubChem CID 151125761) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is propyl 1H-pyridazine-2-carboxylate.

Molecular Properties

Compound Namepropyl 1H-pyridazine-2-carboxylate
PubChem CID151125761
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namepropyl 1H-pyridazine-2-carboxylate
SMILESCCCOC(=O)N1C=CC=CN1
InChIInChI=1S/C8H12N2O2/c1-2-7-12-8(11)10-6-4-3-5-9-10/h3-6,9H,2,7H2,1H3
InChIKeyMTDUBVHEOWFCOY-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride
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CID 174550006
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tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130

Frequently Asked Questions

What is the IUPAC name of propyl 1H-pyridazine-2-carboxylate?
The IUPAC name of propyl 1H-pyridazine-2-carboxylate (CID 151125761) is propyl 1H-pyridazine-2-carboxylate.
What is the SMILES notation for propyl 1H-pyridazine-2-carboxylate?
The canonical SMILES for propyl 1H-pyridazine-2-carboxylate is CCCOC(=O)N1C=CC=CN1.
What is the InChIKey of propyl 1H-pyridazine-2-carboxylate?
The InChIKey is MTDUBVHEOWFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7-12-8(11)10-6-4-3-5-9-10/h3-6,9H,2,7H2,1H3.
What are the key properties of propyl 1H-pyridazine-2-carboxylate?
propyl 1H-pyridazine-2-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1H-pyridazine-2-carboxylate is sourced from PubChem (CID 151125761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).