1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea

C17H13ClN4O — CID 54424116

IUPAC1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
SMILESO=C(N=c1ccn(-c2ccccc2)nc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN4O/c18-13-6-8-14(9-7-13)20-17(23)21-15-10-11-22(19-12-15)16-4-2-1-3-5-16/h1-12H,(H,20,23)
InChIKeyWCWHFHJURLRNIG-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea

1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea (PubChem CID 54424116) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
PubChem CID54424116
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
SMILESO=C(N=c1ccn(-c2ccccc2)nc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN4O/c18-13-6-8-14(9-7-13)20-17(23)21-15-10-11-22(19-12-15)16-4-2-1-3-5-16/h1-12H,(H,20,23)
InChIKeyWCWHFHJURLRNIG-UHFFFAOYSA-N
XLogP3.66
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206639
1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea
CID 134095263
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
(3E)-1-(4-chlorophenyl)-3-(2-phenyl-3H-isoindol-1-ylidene)urea
CID 171977613
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea (CID 54424116) is 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea is O=C(N=c1ccn(-c2ccccc2)nc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea?
The InChIKey is WCWHFHJURLRNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-13-6-8-14(9-7-13)20-17(23)21-15-10-11-22(19-12-15)16-4-2-1-3-5-16/h1-12H,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea?
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea has a molecular weight of 324.77 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea is sourced from PubChem (CID 54424116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).