5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol

C19H19N5O — CID 145330467

IUPAC5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol
SMILES[H]/N=C/C(=C\N)c1ccc(-c2ccc(C3=CCN(C)C=C3)nn2)c(O)c1
InChIInChI=1S/C19H19N5O/c1-24-8-6-13(7-9-24)17-4-5-18(23-22-17)16-3-2-14(10-19(16)25)15(11-20)12-21/h2-8,10-12,20,25H,9,21H2,1H3/b15-12+,20-11+
InChIKeyWCUNQZYYNPRBKJ-OWUWXWLISA-N
MW333.40 g/mol
LogP2.64
Rot. Bonds4

About 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol

5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol (PubChem CID 145330467) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol
PubChem CID145330467
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol
SMILES[H]/N=C/C(=C\N)c1ccc(-c2ccc(C3=CCN(C)C=C3)nn2)c(O)c1
InChIInChI=1S/C19H19N5O/c1-24-8-6-13(7-9-24)17-4-5-18(23-22-17)16-3-2-14(10-19(16)25)15(11-20)12-21/h2-8,10-12,20,25H,9,21H2,1H3/b15-12+,20-11+
InChIKeyWCUNQZYYNPRBKJ-OWUWXWLISA-N
XLogP2.64
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 137197289
(Z)-3-imino-2-[3-methyl-4-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyridazin-3-yl]phenyl]prop-1-en-1-amine
CID 166913727
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-b]pyrazin-5-yl]phenol
CID 153382907
(Z)-3-imino-2-pyridin-4-ylprop-1-en-1-amine
CID 143257869
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide
CID 142305843
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine
CID 146475288
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-3-fluorophenol
CID 144674677
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-methyl-3-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrazole-5-carboximidoyl]aniline
CID 144694716
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline
CID 144694687
(1Z)-1-(1-aminoethylidene)-7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-(4-methylphenyl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine
CID 166877816
2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1-methyl-2H-pyrimidin-4-yl)phenol
CID 175845532
8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
CID 143150281

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
The IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol (CID 145330467) is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol is [H]/N=C/C(=C\N)c1ccc(-c2ccc(C3=CCN(C)C=C3)nn2)c(O)c1.
What is the InChIKey of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
The InChIKey is WCUNQZYYNPRBKJ-OWUWXWLISA-N. The full InChI is InChI=1S/C19H19N5O/c1-24-8-6-13(7-9-24)17-4-5-18(23-22-17)16-3-2-14(10-19(16)25)15(11-20)12-21/h2-8,10-12,20,25H,9,21H2,1H3/b15-12+,20-11+.
What are the key properties of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol has a molecular weight of 333.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[6-(1-methyl-2H-pyridin-4-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 145330467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).