4-(azetidin-3-yl)-1H-indazole;ethane

C12H17N3 — CID 91525008

IUPAC4-(azetidin-3-yl)-1H-indazole;ethane
SMILESCC.c1cc(C2CNC2)c2cn[nH]c2c1
InChIInChI=1S/C10H11N3.C2H6/c1-2-8(7-4-11-5-7)9-6-12-13-10(9)3-1;1-2/h1-3,6-7,11H,4-5H2,(H,12,13);1-2H3
InChIKeyQGDLYJZIEWQLDI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.28
Rot. Bonds1

About 4-(azetidin-3-yl)-1H-indazole;ethane

4-(azetidin-3-yl)-1H-indazole;ethane (PubChem CID 91525008) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-1H-indazole;ethane.

Molecular Properties

Compound Name4-(azetidin-3-yl)-1H-indazole;ethane
PubChem CID91525008
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(azetidin-3-yl)-1H-indazole;ethane
SMILESCC.c1cc(C2CNC2)c2cn[nH]c2c1
InChIInChI=1S/C10H11N3.C2H6/c1-2-8(7-4-11-5-7)9-6-12-13-10(9)3-1;1-2/h1-3,6-7,11H,4-5H2,(H,12,13);1-2H3
InChIKeyQGDLYJZIEWQLDI-UHFFFAOYSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-1H-indazole;ethane?
The IUPAC name of 4-(azetidin-3-yl)-1H-indazole;ethane (CID 91525008) is 4-(azetidin-3-yl)-1H-indazole;ethane.
What is the SMILES notation for 4-(azetidin-3-yl)-1H-indazole;ethane?
The canonical SMILES for 4-(azetidin-3-yl)-1H-indazole;ethane is CC.c1cc(C2CNC2)c2cn[nH]c2c1.
What is the InChIKey of 4-(azetidin-3-yl)-1H-indazole;ethane?
The InChIKey is QGDLYJZIEWQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C2H6/c1-2-8(7-4-11-5-7)9-6-12-13-10(9)3-1;1-2/h1-3,6-7,11H,4-5H2,(H,12,13);1-2H3.
What are the key properties of 4-(azetidin-3-yl)-1H-indazole;ethane?
4-(azetidin-3-yl)-1H-indazole;ethane has a molecular weight of 203.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-1H-indazole;ethane is sourced from PubChem (CID 91525008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).