2-(1H-indazol-6-yl)-4-methylmorpholine

C12H15N3O — CID 126485883

IUPAC2-(1H-indazol-6-yl)-4-methylmorpholine
SMILESCN1CCOC(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C12H15N3O/c1-15-4-5-16-12(8-15)9-2-3-10-7-13-14-11(10)6-9/h2-3,6-7,12H,4-5,8H2,1H3,(H,13,14)
InChIKeyQCCDWAHTVCODHX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds1

About 2-(1H-indazol-6-yl)-4-methylmorpholine

2-(1H-indazol-6-yl)-4-methylmorpholine (PubChem CID 126485883) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1H-indazol-6-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(1H-indazol-6-yl)-4-methylmorpholine
PubChem CID126485883
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(1H-indazol-6-yl)-4-methylmorpholine
SMILESCN1CCOC(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C12H15N3O/c1-15-4-5-16-12(8-15)9-2-3-10-7-13-14-11(10)6-9/h2-3,6-7,12H,4-5,8H2,1H3,(H,13,14)
InChIKeyQCCDWAHTVCODHX-UHFFFAOYSA-N
XLogP1.57
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-yl)-4-methylmorpholine?
The IUPAC name of 2-(1H-indazol-6-yl)-4-methylmorpholine (CID 126485883) is 2-(1H-indazol-6-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(1H-indazol-6-yl)-4-methylmorpholine?
The canonical SMILES for 2-(1H-indazol-6-yl)-4-methylmorpholine is CN1CCOC(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 2-(1H-indazol-6-yl)-4-methylmorpholine?
The InChIKey is QCCDWAHTVCODHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-4-5-16-12(8-15)9-2-3-10-7-13-14-11(10)6-9/h2-3,6-7,12H,4-5,8H2,1H3,(H,13,14).
What are the key properties of 2-(1H-indazol-6-yl)-4-methylmorpholine?
2-(1H-indazol-6-yl)-4-methylmorpholine has a molecular weight of 217.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-yl)-4-methylmorpholine is sourced from PubChem (CID 126485883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).