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

C11H11ClN4O — CID 177337009

IUPAC5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
SMILESCOc1c(Cl)cc2c(c1-c1nn[nH]n1)CCC2
InChIInChI=1S/C11H11ClN4O/c1-17-10-8(12)5-6-3-2-4-7(6)9(10)11-13-15-16-14-11/h5H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyRMHMNSSRHKTRKB-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.02
Rot. Bonds2

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

5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole (PubChem CID 177337009) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
PubChem CID177337009
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
SMILESCOc1c(Cl)cc2c(c1-c1nn[nH]n1)CCC2
InChIInChI=1S/C11H11ClN4O/c1-17-10-8(12)5-6-3-2-4-7(6)9(10)11-13-15-16-14-11/h5H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyRMHMNSSRHKTRKB-UHFFFAOYSA-N
XLogP2.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
The IUPAC name of 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole (CID 177337009) is 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole.
What is the SMILES notation for 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
The canonical SMILES for 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole is COc1c(Cl)cc2c(c1-c1nn[nH]n1)CCC2.
What is the InChIKey of 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
The InChIKey is RMHMNSSRHKTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-10-8(12)5-6-3-2-4-7(6)9(10)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-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole?
5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole has a molecular weight of 250.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole is sourced from PubChem (CID 177337009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).