1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea

C20H18N6O — CID 6538886

IUPAC1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea
SMILESCCNC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H18N6O/c1-2-21-20(27)22-18-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)23-25-19(16)26-24-18/h3-12H,2H2,1H3,(H3,21,22,24,25,26,27)
InChIKeyMEQVZIVHTTYRNS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.83
Rot. Bonds4

About 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea

1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea (PubChem CID 6538886) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea
PubChem CID6538886
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea
SMILESCCNC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H18N6O/c1-2-21-20(27)22-18-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)23-25-19(16)26-24-18/h3-12H,2H2,1H3,(H3,21,22,24,25,26,27)
InChIKeyMEQVZIVHTTYRNS-UHFFFAOYSA-N
XLogP3.83
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea?
The IUPAC name of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea (CID 6538886) is 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea.
What is the SMILES notation for 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea?
The canonical SMILES for 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea is CCNC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea?
The InChIKey is MEQVZIVHTTYRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-21-20(27)22-18-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)23-25-19(16)26-24-18/h3-12H,2H2,1H3,(H3,21,22,24,25,26,27).
What are the key properties of 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea?
1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea has a molecular weight of 358.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea is sourced from PubChem (CID 6538886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).