4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine

C16H21N7O — CID 171067404

IUPAC4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine
SMILESNCCCCOC1CN(c2cc(-n3cnnc3)cc3[nH]ncc23)C1
InChIInChI=1S/C16H21N7O/c17-3-1-2-4-24-13-8-22(9-13)16-6-12(23-10-19-20-11-23)5-15-14(16)7-18-21-15/h5-7,10-11,13H,1-4,8-9,17H2,(H,18,21)
InChIKeyXQUVHXUVARDBHZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.09
Rot. Bonds7

About 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine

4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine (PubChem CID 171067404) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine.

Molecular Properties

Compound Name4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine
PubChem CID171067404
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine
SMILESNCCCCOC1CN(c2cc(-n3cnnc3)cc3[nH]ncc23)C1
InChIInChI=1S/C16H21N7O/c17-3-1-2-4-24-13-8-22(9-13)16-6-12(23-10-19-20-11-23)5-15-14(16)7-18-21-15/h5-7,10-11,13H,1-4,8-9,17H2,(H,18,21)
InChIKeyXQUVHXUVARDBHZ-UHFFFAOYSA-N
XLogP1.09
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine?
The IUPAC name of 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine (CID 171067404) is 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine.
What is the SMILES notation for 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine?
The canonical SMILES for 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine is NCCCCOC1CN(c2cc(-n3cnnc3)cc3[nH]ncc23)C1.
What is the InChIKey of 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine?
The InChIKey is XQUVHXUVARDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c17-3-1-2-4-24-13-8-22(9-13)16-6-12(23-10-19-20-11-23)5-15-14(16)7-18-21-15/h5-7,10-11,13H,1-4,8-9,17H2,(H,18,21).
What are the key properties of 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine?
4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine has a molecular weight of 327.39 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]azetidin-3-yl]oxybutan-1-amine is sourced from PubChem (CID 171067404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).