ethane;5-methyl-2H-benzotriazole

C11H19N3 — CID 91594051

IUPACethane;5-methyl-2H-benzotriazole
SMILESCC.CC.Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3.2C2H6/c1-5-2-3-6-7(4-5)9-10-8-6;2*1-2/h2-4H,1H3,(H,8,9,10);2*1-2H3
InChIKeyDIYZOBPCHFBPRZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.32
Rot. Bonds

About ethane;5-methyl-2H-benzotriazole

ethane;5-methyl-2H-benzotriazole (PubChem CID 91594051) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;5-methyl-2H-benzotriazole.

Molecular Properties

Compound Nameethane;5-methyl-2H-benzotriazole
PubChem CID91594051
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;5-methyl-2H-benzotriazole
SMILESCC.CC.Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3.2C2H6/c1-5-2-3-6-7(4-5)9-10-8-6;2*1-2/h2-4H,1H3,(H,8,9,10);2*1-2H3
InChIKeyDIYZOBPCHFBPRZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2H-benzotriazole;molecular hydrogen
CID 142249958
bis(5-methyl-2H-benzotriazole);sulfate
CID 21118102
5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole
CID 158057233
5-methyl-2H-benzotriazole;(NZ)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine
CID 143652167
5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
CID 145283834
(1R)-1-(2H-benzotriazol-5-yl)ethanamine
CID 66637123
2H-benzotriazol-5-yl hypochlorite
CID 141130310
5-(4-tert-butylphenyl)-2H-benzotriazole
CID 126668358
2H-benzotriazol-5-yl propanoate
CID 175838665
2H-benzotriazol-5-yl(pentafluoro)-λ6-sulfane
CID 57408101
5-ethynyl-2H-benzotriazole
CID 162382544
ethyl 3-(2H-benzotriazol-5-yl)-3-oxopropanoate
CID 70925636

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2H-benzotriazole?
The IUPAC name of ethane;5-methyl-2H-benzotriazole (CID 91594051) is ethane;5-methyl-2H-benzotriazole.
What is the SMILES notation for ethane;5-methyl-2H-benzotriazole?
The canonical SMILES for ethane;5-methyl-2H-benzotriazole is CC.CC.Cc1ccc2n[nH]nc2c1.
What is the InChIKey of ethane;5-methyl-2H-benzotriazole?
The InChIKey is DIYZOBPCHFBPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2C2H6/c1-5-2-3-6-7(4-5)9-10-8-6;2*1-2/h2-4H,1H3,(H,8,9,10);2*1-2H3.
What are the key properties of ethane;5-methyl-2H-benzotriazole?
ethane;5-methyl-2H-benzotriazole has a molecular weight of 193.29 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2H-benzotriazole is sourced from PubChem (CID 91594051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).