5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one

C14H14ClN3O2 — CID 133293414

IUPAC5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC2CCOc3ccccc32)c1Cl
InChIInChI=1S/C14H14ClN3O2/c15-13-11(8-17-18-14(13)19)16-7-9-5-6-20-12-4-2-1-3-10(9)12/h1-4,8-9H,5-7H2,(H2,16,18,19)
InChIKeyULTDEXAGUWLTQF-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one

5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one (PubChem CID 133293414) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
PubChem CID133293414
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC2CCOc3ccccc32)c1Cl
InChIInChI=1S/C14H14ClN3O2/c15-13-11(8-17-18-14(13)19)16-7-9-5-6-20-12-4-2-1-3-10(9)12/h1-4,8-9H,5-7H2,(H2,16,18,19)
InChIKeyULTDEXAGUWLTQF-UHFFFAOYSA-N
XLogP2.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one
CID 133295746
2-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-fluoroaniline
CID 107635746
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
CID 110709330
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
CID 133293405
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
3a,4,5,10b-tetrahydro-3H-[1]benzoxepino[4,5-d][1,3]oxazol-2-one
CID 70394255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one (CID 133293414) is 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCC2CCOc3ccccc32)c1Cl.
What is the InChIKey of 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one?
The InChIKey is ULTDEXAGUWLTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-13-11(8-17-18-14(13)19)16-7-9-5-6-20-12-4-2-1-3-10(9)12/h1-4,8-9H,5-7H2,(H2,16,18,19).
What are the key properties of 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one?
5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one has a molecular weight of 291.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 133293414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).