[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol

C13H18N4O2 — CID 106296931

IUPAC[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol
SMILESNc1cc2cn[nH]c2cc1NC1(CO)CCOCC1
InChIInChI=1S/C13H18N4O2/c14-10-5-9-7-15-17-11(9)6-12(10)16-13(8-18)1-3-19-4-2-13/h5-7,16,18H,1-4,8,14H2,(H,15,17)
InChIKeyURLYWJXJMPJUMT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.10
Rot. Bonds3

About [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol

[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol (PubChem CID 106296931) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol
PubChem CID106296931
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol
SMILESNc1cc2cn[nH]c2cc1NC1(CO)CCOCC1
InChIInChI=1S/C13H18N4O2/c14-10-5-9-7-15-17-11(9)6-12(10)16-13(8-18)1-3-19-4-2-13/h5-7,16,18H,1-4,8,14H2,(H,15,17)
InChIKeyURLYWJXJMPJUMT-UHFFFAOYSA-N
XLogP1.10
TPSA96.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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]oxan-4-yl]methanol?
The IUPAC name of [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol (CID 106296931) is [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol is Nc1cc2cn[nH]c2cc1NC1(CO)CCOCC1.
What is the InChIKey of [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol?
The InChIKey is URLYWJXJMPJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-10-5-9-7-15-17-11(9)6-12(10)16-13(8-18)1-3-19-4-2-13/h5-7,16,18H,1-4,8,14H2,(H,15,17).
What are the key properties of [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol?
[4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-1H-indazol-6-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106296931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).