[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol

C13H17N3O2 — CID 59763286

IUPAC[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
SMILESOCc1ccc2n[nH]c(CN3CCOCC3)c2c1
InChIInChI=1S/C13H17N3O2/c17-9-10-1-2-12-11(7-10)13(15-14-12)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8-9H2,(H,14,15)
InChIKeyBUUDGLFHIPBQCS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol

[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol (PubChem CID 59763286) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
PubChem CID59763286
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
SMILESOCc1ccc2n[nH]c(CN3CCOCC3)c2c1
InChIInChI=1S/C13H17N3O2/c17-9-10-1-2-12-11(7-10)13(15-14-12)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8-9H2,(H,14,15)
InChIKeyBUUDGLFHIPBQCS-UHFFFAOYSA-N
XLogP0.89
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol?
The IUPAC name of [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol (CID 59763286) is [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol is OCc1ccc2n[nH]c(CN3CCOCC3)c2c1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol?
The InChIKey is BUUDGLFHIPBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-9-10-1-2-12-11(7-10)13(15-14-12)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8-9H2,(H,14,15).
What are the key properties of [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol?
[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol is sourced from PubChem (CID 59763286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).