4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine

C15H20N4 — CID 104538935

IUPAC4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine
SMILESNCCCCc1cn(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C15H20N4/c16-9-2-1-6-14-11-19(18-17-14)15-8-7-12-4-3-5-13(12)10-15/h7-8,10-11H,1-6,9,16H2
InChIKeyCFPCYZPEYSBGAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.04
Rot. Bonds5

About 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine

4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine (PubChem CID 104538935) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine
PubChem CID104538935
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine
SMILESNCCCCc1cn(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C15H20N4/c16-9-2-1-6-14-11-19(18-17-14)15-8-7-12-4-3-5-13(12)10-15/h7-8,10-11H,1-6,9,16H2
InChIKeyCFPCYZPEYSBGAS-UHFFFAOYSA-N
XLogP2.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
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 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine?
The IUPAC name of 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine (CID 104538935) is 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine is NCCCCc1cn(-c2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine?
The InChIKey is CFPCYZPEYSBGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-9-2-1-6-14-11-19(18-17-14)15-8-7-12-4-3-5-13(12)10-15/h7-8,10-11H,1-6,9,16H2.
What are the key properties of 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine?
4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 104538935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).