5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole

C12H14N4O — CID 3071402

IUPAC5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole
SMILESCOc1ccc2c(c1)C(Cc1nn[nH]n1)CC2
InChIInChI=1S/C12H14N4O/c1-17-10-5-4-8-2-3-9(11(8)7-10)6-12-13-15-16-14-12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14,15,16)
InChIKeyLRRTVCHHCMDINI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds3

About 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole

5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole (PubChem CID 3071402) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole
PubChem CID3071402
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole
SMILESCOc1ccc2c(c1)C(Cc1nn[nH]n1)CC2
InChIInChI=1S/C12H14N4O/c1-17-10-5-4-8-2-3-9(11(8)7-10)6-12-13-15-16-14-12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14,15,16)
InChIKeyLRRTVCHHCMDINI-UHFFFAOYSA-N
XLogP1.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole (CID 3071402) is 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole is COc1ccc2c(c1)C(Cc1nn[nH]n1)CC2.
What is the InChIKey of 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole?
The InChIKey is LRRTVCHHCMDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-10-5-4-8-2-3-9(11(8)7-10)6-12-13-15-16-14-12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14,15,16).
What are the key properties of 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole?
5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole has a molecular weight of 230.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 3071402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).