ethane;5-(2-methylphenyl)-2H-tetrazole

C10H14N4 — CID 91346889

IUPACethane;5-(2-methylphenyl)-2H-tetrazole
SMILESCC.Cc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H8N4.C2H6/c1-6-4-2-3-5-7(6)8-9-11-12-10-8;1-2/h2-5H,1H3,(H,9,10,11,12);1-2H3
InChIKeyMGRLHSSYAIPKQX-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.20
Rot. Bonds1

About ethane;5-(2-methylphenyl)-2H-tetrazole

ethane;5-(2-methylphenyl)-2H-tetrazole (PubChem CID 91346889) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is ethane;5-(2-methylphenyl)-2H-tetrazole.

Molecular Properties

Compound Nameethane;5-(2-methylphenyl)-2H-tetrazole
PubChem CID91346889
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Nameethane;5-(2-methylphenyl)-2H-tetrazole
SMILESCC.Cc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H8N4.C2H6/c1-6-4-2-3-5-7(6)8-9-11-12-10-8;1-2/h2-5H,1H3,(H,9,10,11,12);1-2H3
InChIKeyMGRLHSSYAIPKQX-UHFFFAOYSA-N
XLogP2.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
5-(2-methylfuran-3-yl)-2H-tetrazole
CID 69188252
ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
CID 145320896
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine
CID 173146131

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-methylphenyl)-2H-tetrazole?
The IUPAC name of ethane;5-(2-methylphenyl)-2H-tetrazole (CID 91346889) is ethane;5-(2-methylphenyl)-2H-tetrazole.
What is the SMILES notation for ethane;5-(2-methylphenyl)-2H-tetrazole?
The canonical SMILES for ethane;5-(2-methylphenyl)-2H-tetrazole is CC.Cc1ccccc1-c1nn[nH]n1.
What is the InChIKey of ethane;5-(2-methylphenyl)-2H-tetrazole?
The InChIKey is MGRLHSSYAIPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.C2H6/c1-6-4-2-3-5-7(6)8-9-11-12-10-8;1-2/h2-5H,1H3,(H,9,10,11,12);1-2H3.
What are the key properties of ethane;5-(2-methylphenyl)-2H-tetrazole?
ethane;5-(2-methylphenyl)-2H-tetrazole has a molecular weight of 190.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-methylphenyl)-2H-tetrazole is sourced from PubChem (CID 91346889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).