5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one

C14H14ClN3O2 — CID 94177097

IUPAC5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@@H]2COc3ccccc3C2)c1Cl
InChIInChI=1S/C14H14ClN3O2/c15-13-11(7-17-18-14(13)19)16-6-9-5-10-3-1-2-4-12(10)20-8-9/h1-4,7,9H,5-6,8H2,(H2,16,18,19)/t9-/m1/s1
InChIKeyMNOXRGRFHOYCGN-SECBINFHSA-N
MW291.74 g/mol
LogP2.09
Rot. Bonds3

About 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 94177097) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one
PubChem CID94177097
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@@H]2COc3ccccc3C2)c1Cl
InChIInChI=1S/C14H14ClN3O2/c15-13-11(7-17-18-14(13)19)16-6-9-5-10-3-1-2-4-12(10)20-8-9/h1-4,7,9H,5-6,8H2,(H2,16,18,19)/t9-/m1/s1
InChIKeyMNOXRGRFHOYCGN-SECBINFHSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
CID 133293414
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
4-chloro-5-cyclopropyl-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 75378792
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29478544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-8-nitroisoquinolin-5-amine
CID 51210488
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
CID 47407222
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile
CID 47115313
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one (CID 94177097) is 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC[C@@H]2COc3ccccc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is MNOXRGRFHOYCGN-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-13-11(7-17-18-14(13)19)16-6-9-5-10-3-1-2-4-12(10)20-8-9/h1-4,7,9H,5-6,8H2,(H2,16,18,19)/t9-/m1/s1.
What are the key properties of 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 291.74 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 94177097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).