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

C13H18N4O — CID 107488320

IUPAC4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol
SMILESNc1cc2cn[nH]c2cc1NC1CCC(O)CC1
InChIInChI=1S/C13H18N4O/c14-11-5-8-7-15-17-12(8)6-13(11)16-9-1-3-10(18)4-2-9/h5-7,9-10,16,18H,1-4,14H2,(H,15,17)
InChIKeyCWRWKEKCMBYECF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds2

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

4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol (PubChem CID 107488320) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol
PubChem CID107488320
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol
SMILESNc1cc2cn[nH]c2cc1NC1CCC(O)CC1
InChIInChI=1S/C13H18N4O/c14-11-5-8-7-15-17-12(8)6-13(11)16-9-1-3-10(18)4-2-9/h5-7,9-10,16,18H,1-4,14H2,(H,15,17)
InChIKeyCWRWKEKCMBYECF-UHFFFAOYSA-N
XLogP1.86
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol (CID 107488320) is 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol is Nc1cc2cn[nH]c2cc1NC1CCC(O)CC1.
What is the InChIKey of 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol?
The InChIKey is CWRWKEKCMBYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-11-5-8-7-15-17-12(8)6-13(11)16-9-1-3-10(18)4-2-9/h5-7,9-10,16,18H,1-4,14H2,(H,15,17).
What are the key properties of 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol?
4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1H-indazol-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 107488320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).