5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole

C11H12N4 — CID 54265657

IUPAC5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole
SMILESc1ccc2c(c1)CC(Cc1nn[nH]n1)C2
InChIInChI=1S/C11H12N4/c1-2-4-10-6-8(5-9(10)3-1)7-11-12-14-15-13-11/h1-4,8H,5-7H2,(H,12,13,14,15)
InChIKeyRGOQJEDGEUSDST-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.16
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole

5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole (PubChem CID 54265657) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole
PubChem CID54265657
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole
SMILESc1ccc2c(c1)CC(Cc1nn[nH]n1)C2
InChIInChI=1S/C11H12N4/c1-2-4-10-6-8(5-9(10)3-1)7-11-12-14-15-13-11/h1-4,8H,5-7H2,(H,12,13,14,15)
InChIKeyRGOQJEDGEUSDST-UHFFFAOYSA-N
XLogP1.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole?
The IUPAC name of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole (CID 54265657) is 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole is c1ccc2c(c1)CC(Cc1nn[nH]n1)C2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole?
The InChIKey is RGOQJEDGEUSDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-4-10-6-8(5-9(10)3-1)7-11-12-14-15-13-11/h1-4,8H,5-7H2,(H,12,13,14,15).
What are the key properties of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole?
5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole has a molecular weight of 200.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole is sourced from PubChem (CID 54265657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).