N-(1-phenylpyridazin-4-ylidene)prop-2-enamide

C13H11N3O — CID 21246433

IUPACN-(1-phenylpyridazin-4-ylidene)prop-2-enamide
SMILESC=CC(=O)/N=c1/ccn(-c2ccccc2)nc1
InChIInChI=1S/C13H11N3O/c1-2-13(17)15-11-8-9-16(14-10-11)12-6-4-3-5-7-12/h2-10H,1H2/b15-11-
InChIKeyNNMRCZFIKSWENB-PTNGSMBKSA-N
MW225.25 g/mol
LogP1.49
Rot. Bonds2

About N-(1-phenylpyridazin-4-ylidene)prop-2-enamide

N-(1-phenylpyridazin-4-ylidene)prop-2-enamide (PubChem CID 21246433) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(1-phenylpyridazin-4-ylidene)prop-2-enamide.

Molecular Properties

Compound NameN-(1-phenylpyridazin-4-ylidene)prop-2-enamide
PubChem CID21246433
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-(1-phenylpyridazin-4-ylidene)prop-2-enamide
SMILESC=CC(=O)/N=c1/ccn(-c2ccccc2)nc1
InChIInChI=1S/C13H11N3O/c1-2-13(17)15-11-8-9-16(14-10-11)12-6-4-3-5-7-12/h2-10H,1H2/b15-11-
InChIKeyNNMRCZFIKSWENB-PTNGSMBKSA-N
XLogP1.49
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
CID 150642203
3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206639
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
CID 21246254
N-(6-octoxy-1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246510
2-(2,5-dimethoxyphenyl)-N-(1-phenylpyridazin-4-ylidene)acetamide
CID 70482716

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpyridazin-4-ylidene)prop-2-enamide?
The IUPAC name of N-(1-phenylpyridazin-4-ylidene)prop-2-enamide (CID 21246433) is N-(1-phenylpyridazin-4-ylidene)prop-2-enamide.
What is the SMILES notation for N-(1-phenylpyridazin-4-ylidene)prop-2-enamide?
The canonical SMILES for N-(1-phenylpyridazin-4-ylidene)prop-2-enamide is C=CC(=O)/N=c1/ccn(-c2ccccc2)nc1.
What is the InChIKey of N-(1-phenylpyridazin-4-ylidene)prop-2-enamide?
The InChIKey is NNMRCZFIKSWENB-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-13(17)15-11-8-9-16(14-10-11)12-6-4-3-5-7-12/h2-10H,1H2/b15-11-.
What are the key properties of N-(1-phenylpyridazin-4-ylidene)prop-2-enamide?
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide has a molecular weight of 225.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyridazin-4-ylidene)prop-2-enamide is sourced from PubChem (CID 21246433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).