4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine

C14H19N3O — CID 18447246

IUPAC4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCc1[nH]nc2ccc(OC3CCC(N)CC3)cc12
InChIInChI=1S/C14H19N3O/c1-9-13-8-12(6-7-14(13)17-16-9)18-11-4-2-10(15)3-5-11/h6-8,10-11H,2-5,15H2,1H3,(H,16,17)
InChIKeyLPRGLIAXFAHYDK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.52
Rot. Bonds2

About 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine

4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 18447246) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID18447246
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCc1[nH]nc2ccc(OC3CCC(N)CC3)cc12
InChIInChI=1S/C14H19N3O/c1-9-13-8-12(6-7-14(13)17-16-9)18-11-4-2-10(15)3-5-11/h6-8,10-11H,2-5,15H2,1H3,(H,16,17)
InChIKeyLPRGLIAXFAHYDK-UHFFFAOYSA-N
XLogP2.52
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 18447246) is 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine is Cc1[nH]nc2ccc(OC3CCC(N)CC3)cc12.
What is the InChIKey of 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is LPRGLIAXFAHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-13-8-12(6-7-14(13)17-16-9)18-11-4-2-10(15)3-5-11/h6-8,10-11H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine?
4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).