N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H21N3O2 — CID 60960320

IUPACN-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CN(C(=O)C1=NNC(=O)CC1)C(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)7-15(9(3)4)12(17)10-5-6-11(16)14-13-10/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyQICSNORFKGFTQZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.15
Rot. Bonds4

About N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60960320) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60960320
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)CN(C(=O)C1=NNC(=O)CC1)C(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)7-15(9(3)4)12(17)10-5-6-11(16)14-13-10/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyQICSNORFKGFTQZ-UHFFFAOYSA-N
XLogP1.15
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60960320) is N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)CN(C(=O)C1=NNC(=O)CC1)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is QICSNORFKGFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)7-15(9(3)4)12(17)10-5-6-11(16)14-13-10/h8-9H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-N-propan-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60960320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).