3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline

C16H15N5 — CID 107853634

IUPAC3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2C2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15N5/c17-14-7-3-6-13(8-14)16-18-19-20-21(16)15-9-11-4-1-2-5-12(11)10-15/h1-8,15H,9-10,17H2
InChIKeyAEHILFVUPBTQBS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.26
Rot. Bonds2

About 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline

3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline (PubChem CID 107853634) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline
PubChem CID107853634
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2C2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15N5/c17-14-7-3-6-13(8-14)16-18-19-20-21(16)15-9-11-4-1-2-5-12(11)10-15/h1-8,15H,9-10,17H2
InChIKeyAEHILFVUPBTQBS-UHFFFAOYSA-N
XLogP2.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline (CID 107853634) is 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline is Nc1cccc(-c2nnnn2C2Cc3ccccc3C2)c1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline?
The InChIKey is AEHILFVUPBTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-14-7-3-6-13(8-14)16-18-19-20-21(16)15-9-11-4-1-2-5-12(11)10-15/h1-8,15H,9-10,17H2.
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline?
3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline has a molecular weight of 277.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 107853634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).