N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H15N3O2S — CID 60655606

IUPACN-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H15N3O2S/c1-2-15(8-9-4-3-7-18-9)12(17)10-5-6-11(16)14-13-10/h3-4,7H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyMZVSWHPQTDPTTN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.36
Rot. Bonds4

About N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60655606) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60655606
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H15N3O2S/c1-2-15(8-9-4-3-7-18-9)12(17)10-5-6-11(16)14-13-10/h3-4,7H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyMZVSWHPQTDPTTN-UHFFFAOYSA-N
XLogP1.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56563157
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-2,5-dioxo-N-(thiophen-2-ylmethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33032916
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60655606) is N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CCN(Cc1cccs1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is MZVSWHPQTDPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-15(8-9-4-3-7-18-9)12(17)10-5-6-11(16)14-13-10/h3-4,7H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).