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

C14H20N4O — CID 106120243

IUPAC4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cc2cn[nH]c2cc1NCC1CCC(O)CC1
InChIInChI=1S/C14H20N4O/c15-12-5-10-8-17-18-13(10)6-14(12)16-7-9-1-3-11(19)4-2-9/h5-6,8-9,11,16,19H,1-4,7,15H2,(H,17,18)
InChIKeyCSXCGJJYHLQMPF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds3

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

4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106120243) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106120243
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cc2cn[nH]c2cc1NCC1CCC(O)CC1
InChIInChI=1S/C14H20N4O/c15-12-5-10-8-17-18-13(10)6-14(12)16-7-9-1-3-11(19)4-2-9/h5-6,8-9,11,16,19H,1-4,7,15H2,(H,17,18)
InChIKeyCSXCGJJYHLQMPF-UHFFFAOYSA-N
XLogP2.11
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
CID 49798266
5-[2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole
CID 49798243
(S)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
CID 49798244
cis-(1R,2S)-2-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]cyclohexan-1-ol
CID 168298196
cis-(1R,2S)-2-[[(6-methyl-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 168298720
3-[3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]anilino]cyclohexan-1-ol
CID 130335543
cis-(1R,2S)-2-[[(6-amino-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 168298019
(1S,2R)-2-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]cyclohexan-1-ol
CID 130335529
3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol
CID 130335571
2-[(5-methyl-1H-indazol-7-yl)amino]ethanol
CID 14085201
3-[(5-amino-1H-indazol-6-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105642306
3-[(5-amino-1H-indazol-6-yl)amino]-2,2-difluoropropan-1-ol
CID 106167606

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol (CID 106120243) is 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol is Nc1cc2cn[nH]c2cc1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CSXCGJJYHLQMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-12-5-10-8-17-18-13(10)6-14(12)16-7-9-1-3-11(19)4-2-9/h5-6,8-9,11,16,19H,1-4,7,15H2,(H,17,18).
What are the key properties of 4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol?
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.11, 3 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).