5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen

C12H23N3 — CID 145283834

IUPAC5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
SMILESCC.CC.Cc1cc2n[nH]nc2cc1C.[H][H]
InChIInChI=1S/C8H9N3.2C2H6.H2/c1-5-3-7-8(4-6(5)2)10-11-9-7;2*1-2;/h3-4H,1-2H3,(H,9,10,11);2*1-2H3;1H
InChIKeyFHNRLFCBYUGXKZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.87
Rot. Bonds

About 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen

5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen (PubChem CID 145283834) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
PubChem CID145283834
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
SMILESCC.CC.Cc1cc2n[nH]nc2cc1C.[H][H]
InChIInChI=1S/C8H9N3.2C2H6.H2/c1-5-3-7-8(4-6(5)2)10-11-9-7;2*1-2;/h3-4H,1-2H3,(H,9,10,11);2*1-2H3;1H
InChIKeyFHNRLFCBYUGXKZ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen?
The IUPAC name of 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen (CID 145283834) is 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen.
What is the SMILES notation for 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen?
The canonical SMILES for 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen is CC.CC.Cc1cc2n[nH]nc2cc1C.[H][H].
What is the InChIKey of 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen?
The InChIKey is FHNRLFCBYUGXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.2C2H6.H2/c1-5-3-7-8(4-6(5)2)10-11-9-7;2*1-2;/h3-4H,1-2H3,(H,9,10,11);2*1-2H3;1H.
What are the key properties of 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen?
5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen has a molecular weight of 209.34 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen is sourced from PubChem (CID 145283834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).