[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine

C15H21N3O — CID 69432427

IUPAC[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
SMILESCc1c(O[C@@H]2CCC[C@@H](CN)C2)ccc2[nH]ncc12
InChIInChI=1S/C15H21N3O/c1-10-13-9-17-18-14(13)5-6-15(10)19-12-4-2-3-11(7-12)8-16/h5-6,9,11-12H,2-4,7-8,16H2,1H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyHJKHSJZBJKBBPY-VXGBXAGGSA-N
MW259.35 g/mol
LogP2.77
Rot. Bonds3

About [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine

[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine (PubChem CID 69432427) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
PubChem CID69432427
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
SMILESCc1c(O[C@@H]2CCC[C@@H](CN)C2)ccc2[nH]ncc12
InChIInChI=1S/C15H21N3O/c1-10-13-9-17-18-14(13)5-6-15(10)19-12-4-2-3-11(7-12)8-16/h5-6,9,11-12H,2-4,7-8,16H2,1H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyHJKHSJZBJKBBPY-VXGBXAGGSA-N
XLogP2.77
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine?
The IUPAC name of [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine (CID 69432427) is [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine?
The canonical SMILES for [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine is Cc1c(O[C@@H]2CCC[C@@H](CN)C2)ccc2[nH]ncc12.
What is the InChIKey of [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine?
The InChIKey is HJKHSJZBJKBBPY-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-13-9-17-18-14(13)5-6-15(10)19-12-4-2-3-11(7-12)8-16/h5-6,9,11-12H,2-4,7-8,16H2,1H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine?
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine is sourced from PubChem (CID 69432427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).