4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol

C13H16N4O3 — CID 118226468

IUPAC4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cc2cn[nH]c2cc1NC1CCC(O)CC1
InChIInChI=1S/C13H16N4O3/c18-10-3-1-9(2-4-10)15-12-6-11-8(7-14-16-11)5-13(12)17(19)20/h5-7,9-10,15,18H,1-4H2,(H,14,16)
InChIKeyKWBJSELMAGYMDI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.19
Rot. Bonds3

About 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol

4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol (PubChem CID 118226468) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol
PubChem CID118226468
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cc2cn[nH]c2cc1NC1CCC(O)CC1
InChIInChI=1S/C13H16N4O3/c18-10-3-1-9(2-4-10)15-12-6-11-8(7-14-16-11)5-13(12)17(19)20/h5-7,9-10,15,18H,1-4H2,(H,14,16)
InChIKeyKWBJSELMAGYMDI-UHFFFAOYSA-N
XLogP2.19
TPSA104.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol (CID 118226468) is 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol is O=[N+]([O-])c1cc2cn[nH]c2cc1NC1CCC(O)CC1.
What is the InChIKey of 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol?
The InChIKey is KWBJSELMAGYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-10-3-1-9(2-4-10)15-12-6-11-8(7-14-16-11)5-13(12)17(19)20/h5-7,9-10,15,18H,1-4H2,(H,14,16).
What are the key properties of 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol?
4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-1H-indazol-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 118226468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).