4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole

C14H14N6 — CID 44630380

IUPAC4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole
SMILESCc1ccc2n[nH]nc2c1.Cc1cccc2n[nH]nc12
InChIInChI=1S/2C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6/h2*2-4H,1H3,(H,8,9,10)
InChIKeyLBOQZDCAYYCJBU-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.53
Rot. Bonds

About 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole

4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole (PubChem CID 44630380) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole.

Molecular Properties

Compound Name4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole
PubChem CID44630380
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole
SMILESCc1ccc2n[nH]nc2c1.Cc1cccc2n[nH]nc12
InChIInChI=1S/2C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6/h2*2-4H,1H3,(H,8,9,10)
InChIKeyLBOQZDCAYYCJBU-UHFFFAOYSA-N
XLogP2.53
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole?
The IUPAC name of 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole (CID 44630380) is 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole.
What is the SMILES notation for 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole?
The canonical SMILES for 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole is Cc1ccc2n[nH]nc2c1.Cc1cccc2n[nH]nc12.
What is the InChIKey of 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole?
The InChIKey is LBOQZDCAYYCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6/h2*2-4H,1H3,(H,8,9,10).
What are the key properties of 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole?
4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole has a molecular weight of 266.31 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole is sourced from PubChem (CID 44630380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).