5-methyl-2H-benzotriazole;molecular hydrogen

C7H9N3 — CID 142249958

IUPAC5-methyl-2H-benzotriazole;molecular hydrogen
SMILESCc1ccc2n[nH]nc2c1.[H][H]
InChIInChI=1S/C7H7N3.H2/c1-5-2-3-6-7(4-5)9-10-8-6;/h2-4H,1H3,(H,8,9,10);1H
InChIKeyKCDKWOLYRAICCI-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds

About 5-methyl-2H-benzotriazole;molecular hydrogen

5-methyl-2H-benzotriazole;molecular hydrogen (PubChem CID 142249958) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-methyl-2H-benzotriazole;molecular hydrogen.

Molecular Properties

Compound Name5-methyl-2H-benzotriazole;molecular hydrogen
PubChem CID142249958
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-methyl-2H-benzotriazole;molecular hydrogen
SMILESCc1ccc2n[nH]nc2c1.[H][H]
InChIInChI=1S/C7H7N3.H2/c1-5-2-3-6-7(4-5)9-10-8-6;/h2-4H,1H3,(H,8,9,10);1H
InChIKeyKCDKWOLYRAICCI-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-2H-benzotriazole
CID 91594051
bis(5-methyl-2H-benzotriazole);sulfate
CID 21118102
5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
CID 145283834
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
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
(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
5-ethynyl-2H-benzotriazole
CID 162382544
2H-benzotriazol-5-yl(pentafluoro)-λ6-sulfane
CID 57408101

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-benzotriazole;molecular hydrogen?
The IUPAC name of 5-methyl-2H-benzotriazole;molecular hydrogen (CID 142249958) is 5-methyl-2H-benzotriazole;molecular hydrogen.
What is the SMILES notation for 5-methyl-2H-benzotriazole;molecular hydrogen?
The canonical SMILES for 5-methyl-2H-benzotriazole;molecular hydrogen is Cc1ccc2n[nH]nc2c1.[H][H].
What is the InChIKey of 5-methyl-2H-benzotriazole;molecular hydrogen?
The InChIKey is KCDKWOLYRAICCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.H2/c1-5-2-3-6-7(4-5)9-10-8-6;/h2-4H,1H3,(H,8,9,10);1H.
What are the key properties of 5-methyl-2H-benzotriazole;molecular hydrogen?
5-methyl-2H-benzotriazole;molecular hydrogen has a molecular weight of 135.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-benzotriazole;molecular hydrogen is sourced from PubChem (CID 142249958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).