5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole

C13H16N4 — CID 118900080

IUPAC5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole
SMILESCC1CCc2cc(-c3nn[nH]n3)ccc2C1C
InChIInChI=1S/C13H16N4/c1-8-3-4-10-7-11(13-14-16-17-15-13)5-6-12(10)9(8)2/h5-9H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyKCDUIEROPXHCSL-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.55
Rot. Bonds1

About 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole

5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole (PubChem CID 118900080) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole
PubChem CID118900080
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole
SMILESCC1CCc2cc(-c3nn[nH]n3)ccc2C1C
InChIInChI=1S/C13H16N4/c1-8-3-4-10-7-11(13-14-16-17-15-13)5-6-12(10)9(8)2/h5-9H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyKCDUIEROPXHCSL-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole?
The IUPAC name of 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole (CID 118900080) is 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole is CC1CCc2cc(-c3nn[nH]n3)ccc2C1C.
What is the InChIKey of 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole?
The InChIKey is KCDUIEROPXHCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-3-4-10-7-11(13-14-16-17-15-13)5-6-12(10)9(8)2/h5-9H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole?
5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole has a molecular weight of 228.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole is sourced from PubChem (CID 118900080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).