N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine

C15H22N4O — CID 171067935

IUPACN'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine
SMILESNCCCNc1cc(C2CCOCC2)cc2[nH]ncc12
InChIInChI=1S/C15H22N4O/c16-4-1-5-17-14-8-12(11-2-6-20-7-3-11)9-15-13(14)10-18-19-15/h8-11,17H,1-7,16H2,(H,18,19)
InChIKeyIZBDLIRWEZGZCG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.22
Rot. Bonds5

About N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine

N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine (PubChem CID 171067935) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine
PubChem CID171067935
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine
SMILESNCCCNc1cc(C2CCOCC2)cc2[nH]ncc12
InChIInChI=1S/C15H22N4O/c16-4-1-5-17-14-8-12(11-2-6-20-7-3-11)9-15-13(14)10-18-19-15/h8-11,17H,1-7,16H2,(H,18,19)
InChIKeyIZBDLIRWEZGZCG-UHFFFAOYSA-N
XLogP2.22
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine (CID 171067935) is N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine is NCCCNc1cc(C2CCOCC2)cc2[nH]ncc12.
What is the InChIKey of N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine?
The InChIKey is IZBDLIRWEZGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-4-1-5-17-14-8-12(11-2-6-20-7-3-11)9-15-13(14)10-18-19-15/h8-11,17H,1-7,16H2,(H,18,19).
What are the key properties of N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine?
N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(oxan-4-yl)-1H-indazol-4-yl]propane-1,3-diamine is sourced from PubChem (CID 171067935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).