1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea

C12H20N4O2 — CID 71846788

IUPAC1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-4-8-9(7-14-12(18)13-6-3)11(17)16-15-10(8)5-2/h4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyGLEOHEIBANERGV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.71
Rot. Bonds5

About 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea (PubChem CID 71846788) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
PubChem CID71846788
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-4-8-9(7-14-12(18)13-6-3)11(17)16-15-10(8)5-2/h4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyGLEOHEIBANERGV-UHFFFAOYSA-N
XLogP0.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3,4-diethyl-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride
CID 120409249
N-(3-amino-2,2-difluoropropyl)-3,4-diethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 120409250
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 137989522
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethyl-3-fluoroazetidine-1-carboxamide
CID 166262755
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea
CID 167753421
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-prop-2-enylurea
CID 71846787
1-cyclopropyl-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
CID 71849002
3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,1-diethylurea
CID 71969020
3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide
CID 71969293
1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
CID 84589851
3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
CID 119400997
3,4-diethyl-N-[3-(methylamino)propyl]-6-oxo-1H-pyridazine-5-carboxamide;hydrochloride
CID 119430603

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea?
The IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea (CID 71846788) is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea is CCNC(=O)NCc1c(CC)c(CC)n[nH]c1=O.
What is the InChIKey of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea?
The InChIKey is GLEOHEIBANERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-8-9(7-14-12(18)13-6-3)11(17)16-15-10(8)5-2/h4-7H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea?
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea has a molecular weight of 252.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea is sourced from PubChem (CID 71846788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).