5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole

C11H11ClN4 — CID 177337042

IUPAC5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
SMILESCc1c(Cl)cc2c(c1-c1nn[nH]n1)CCC2
InChIInChI=1S/C11H11ClN4/c1-6-9(12)5-7-3-2-4-8(7)10(6)11-13-15-16-14-11/h5H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyRHQSVXGPJKEICO-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.32
Rot. Bonds1

About 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole

5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole (PubChem CID 177337042) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
PubChem CID177337042
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
SMILESCc1c(Cl)cc2c(c1-c1nn[nH]n1)CCC2
InChIInChI=1S/C11H11ClN4/c1-6-9(12)5-7-3-2-4-8(7)10(6)11-13-15-16-14-11/h5H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyRHQSVXGPJKEICO-UHFFFAOYSA-N
XLogP2.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
The IUPAC name of 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole (CID 177337042) is 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole.
What is the SMILES notation for 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
The canonical SMILES for 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole is Cc1c(Cl)cc2c(c1-c1nn[nH]n1)CCC2.
What is the InChIKey of 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
The InChIKey is RHQSVXGPJKEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-6-9(12)5-7-3-2-4-8(7)10(6)11-13-15-16-14-11/h5H,2-4H2,1H3,(H,13,14,15,16).
What are the key properties of 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole has a molecular weight of 234.69 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole is sourced from PubChem (CID 177337042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).