1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one

C13H19N3O2 — CID 86151351

IUPAC1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCn1ncc2c1CCC(CN1CCOCC1)C2=O
InChIInChI=1S/C13H19N3O2/c1-15-12-3-2-10(13(17)11(12)8-14-15)9-16-4-6-18-7-5-16/h8,10H,2-7,9H2,1H3
InChIKeyHAGSRWHCCWDPBW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.50
Rot. Bonds2

About 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one

1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 86151351) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID86151351
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCn1ncc2c1CCC(CN1CCOCC1)C2=O
InChIInChI=1S/C13H19N3O2/c1-15-12-3-2-10(13(17)11(12)8-14-15)9-16-4-6-18-7-5-16/h8,10H,2-7,9H2,1H3
InChIKeyHAGSRWHCCWDPBW-UHFFFAOYSA-N
XLogP0.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride
CID 21228801
8-(morpholin-4-ylmethyl)-2,3,4,8,9,10-hexahydrobenzo[h][1,5]benzodioxepin-7-one
CID 3944688
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
4,6-dimethyl-9-(morpholin-4-ylmethyl)-2,7,8,9-tetrahydro-1H-benzo[f]quinoline-3,10-dione;hydrochloride
CID 70449135
2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride
CID 53422915
(2Z,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92530871
(2E,5S)-2-[(4-methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 92857641
(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
CID 97355462
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467296
1-methyl-4-(morpholin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117216599
1-methyl-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 79678428
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861581

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one (CID 86151351) is 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one is Cn1ncc2c1CCC(CN1CCOCC1)C2=O.
What is the InChIKey of 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is HAGSRWHCCWDPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-12-3-2-10(13(17)11(12)8-14-15)9-16-4-6-18-7-5-16/h8,10H,2-7,9H2,1H3.
What are the key properties of 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one?
1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 86151351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).