N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H19N3O3 — CID 113252997

IUPACN-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1(CNC(=O)C2=NNC(=O)CC2)CCOCC1
InChIInChI=1S/C12H19N3O3/c1-12(4-6-18-7-5-12)8-13-11(17)9-2-3-10(16)15-14-9/h2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyTVQOIXUXUJBEFC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.19
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 113252997) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID113252997
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC1(CNC(=O)C2=NNC(=O)CC2)CCOCC1
InChIInChI=1S/C12H19N3O3/c1-12(4-6-18-7-5-12)8-13-11(17)9-2-3-10(16)15-14-9/h2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyTVQOIXUXUJBEFC-UHFFFAOYSA-N
XLogP0.19
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 113252997) is N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC1(CNC(=O)C2=NNC(=O)CC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is TVQOIXUXUJBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(4-6-18-7-5-12)8-13-11(17)9-2-3-10(16)15-14-9/h2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113252997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).