N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide

C15H24N4O3S — CID 109111017

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCC(C)C)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N4O3S/c1-4-19(12-7-8-23(21,22)10-12)15(20)13-5-6-14(18-17-13)16-9-11(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18)
InChIKeyVFQLCEOSYGNHTA-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.19
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide (PubChem CID 109111017) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
PubChem CID109111017
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCC(C)C)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N4O3S/c1-4-19(12-7-8-23(21,22)10-12)15(20)13-5-6-14(18-17-13)16-9-11(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18)
InChIKeyVFQLCEOSYGNHTA-UHFFFAOYSA-N
XLogP1.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(dimethylamino)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109115190
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118020
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361984
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079803
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123703
N-cyclopropyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 62168086
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111199
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953
N-cyclohexyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 55042606

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide (CID 109111017) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide is CCN(C(=O)c1ccc(NCC(C)C)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The InChIKey is VFQLCEOSYGNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-4-19(12-7-8-23(21,22)10-12)15(20)13-5-6-14(18-17-13)16-9-11(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).