2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol

C14H20N4O — CID 107490875

IUPAC2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol
SMILESNc1cc2cn[nH]c2cc1NC1CCCCCC1O
InChIInChI=1S/C14H20N4O/c15-10-6-9-8-16-18-12(9)7-13(10)17-11-4-2-1-3-5-14(11)19/h6-8,11,14,17,19H,1-5,15H2,(H,16,18)
InChIKeyYOKQNAOJYUVILX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds2

About 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol

2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol (PubChem CID 107490875) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol
PubChem CID107490875
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol
SMILESNc1cc2cn[nH]c2cc1NC1CCCCCC1O
InChIInChI=1S/C14H20N4O/c15-10-6-9-8-16-18-12(9)7-13(10)17-11-4-2-1-3-5-14(11)19/h6-8,11,14,17,19H,1-5,15H2,(H,16,18)
InChIKeyYOKQNAOJYUVILX-UHFFFAOYSA-N
XLogP2.25
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.25
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 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol (CID 107490875) is 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol is Nc1cc2cn[nH]c2cc1NC1CCCCCC1O.
What is the InChIKey of 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol?
The InChIKey is YOKQNAOJYUVILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-10-6-9-8-16-18-12(9)7-13(10)17-11-4-2-1-3-5-14(11)19/h6-8,11,14,17,19H,1-5,15H2,(H,16,18).
What are the key properties of 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol?
2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol is sourced from PubChem (CID 107490875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).