1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea

C16H20N4O2 — CID 20835624

IUPAC1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea
SMILESCNC(=O)NCCN1N=C(C)/C(=C\c2ccccc2)CC1=O
InChIInChI=1S/C16H20N4O2/c1-12-14(10-13-6-4-3-5-7-13)11-15(21)20(19-12)9-8-18-16(22)17-2/h3-7,10H,8-9,11H2,1-2H3,(H2,17,18,22)/b14-10-
InChIKeyZBIWPQRARHHMME-UVTDQMKNSA-N
MW300.36 g/mol
LogP1.61
Rot. Bonds4

About 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea

1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea (PubChem CID 20835624) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea
PubChem CID20835624
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea
SMILESCNC(=O)NCCN1N=C(C)/C(=C\c2ccccc2)CC1=O
InChIInChI=1S/C16H20N4O2/c1-12-14(10-13-6-4-3-5-7-13)11-15(21)20(19-12)9-8-18-16(22)17-2/h3-7,10H,8-9,11H2,1-2H3,(H2,17,18,22)/b14-10-
InChIKeyZBIWPQRARHHMME-UVTDQMKNSA-N
XLogP1.61
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea?
The IUPAC name of 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea (CID 20835624) is 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea?
The canonical SMILES for 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea is CNC(=O)NCCN1N=C(C)/C(=C\c2ccccc2)CC1=O.
What is the InChIKey of 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea?
The InChIKey is ZBIWPQRARHHMME-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-14(10-13-6-4-3-5-7-13)11-15(21)20(19-12)9-8-18-16(22)17-2/h3-7,10H,8-9,11H2,1-2H3,(H2,17,18,22)/b14-10-.
What are the key properties of 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea?
1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea has a molecular weight of 300.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4Z)-4-benzylidene-3-methyl-6-oxopyridazin-1-yl]ethyl]-3-methylurea is sourced from PubChem (CID 20835624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).