6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one

C16H23N3O — CID 116613650

IUPAC6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
SMILESCCn1nc(CC(=O)C(C)CCCN)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-15-9-5-4-8-13(15)14(18-19)11-16(20)12(2)7-6-10-17/h4-5,8-9,12H,3,6-7,10-11,17H2,1-2H3
InChIKeyIEGVZUOTNLMRKB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one

6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one (PubChem CID 116613650) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one.

Molecular Properties

Compound Name6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
PubChem CID116613650
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one
SMILESCCn1nc(CC(=O)C(C)CCCN)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-15-9-5-4-8-13(15)14(18-19)11-16(20)12(2)7-6-10-17/h4-5,8-9,12H,3,6-7,10-11,17H2,1-2H3
InChIKeyIEGVZUOTNLMRKB-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
CID 116574544
2-(aminomethyl)-2-[(1-ethylindazol-3-yl)methyl]butanoic acid
CID 106487389
1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone
CID 102802810
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
3-[(1-ethylindazol-3-yl)methylsulfonyl]butanoic acid
CID 66115028

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one?
The IUPAC name of 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one (CID 116613650) is 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one.
What is the SMILES notation for 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one?
The canonical SMILES for 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one is CCn1nc(CC(=O)C(C)CCCN)c2ccccc21.
What is the InChIKey of 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one?
The InChIKey is IEGVZUOTNLMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19-15-9-5-4-8-13(15)14(18-19)11-16(20)12(2)7-6-10-17/h4-5,8-9,12H,3,6-7,10-11,17H2,1-2H3.
What are the key properties of 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one?
6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1-ethylindazol-3-yl)-3-methylhexan-2-one is sourced from PubChem (CID 116613650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).