4-methyl-2H-benzotriazole;morpholine

C11H16N4O — CID 159945175

IUPAC4-methyl-2H-benzotriazole;morpholine
SMILESC1COCCN1.Cc1cccc2n[nH]nc12
InChIInChI=1S/C7H7N3.C4H9NO/c1-5-3-2-4-6-7(5)9-10-8-6;1-3-6-4-2-5-1/h2-4H,1H3,(H,8,9,10);5H,1-4H2
InChIKeyOBJUWGLRDUCOLA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.87
Rot. Bonds

About 4-methyl-2H-benzotriazole;morpholine

4-methyl-2H-benzotriazole;morpholine (PubChem CID 159945175) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-methyl-2H-benzotriazole;morpholine.

Molecular Properties

Compound Name4-methyl-2H-benzotriazole;morpholine
PubChem CID159945175
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-methyl-2H-benzotriazole;morpholine
SMILESC1COCCN1.Cc1cccc2n[nH]nc12
InChIInChI=1S/C7H7N3.C4H9NO/c1-5-3-2-4-6-7(5)9-10-8-6;1-3-6-4-2-5-1/h2-4H,1H3,(H,8,9,10);5H,1-4H2
InChIKeyOBJUWGLRDUCOLA-UHFFFAOYSA-N
XLogP0.87
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.87
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;morpholine?
The IUPAC name of 4-methyl-2H-benzotriazole;morpholine (CID 159945175) is 4-methyl-2H-benzotriazole;morpholine.
What is the SMILES notation for 4-methyl-2H-benzotriazole;morpholine?
The canonical SMILES for 4-methyl-2H-benzotriazole;morpholine is C1COCCN1.Cc1cccc2n[nH]nc12.
What is the InChIKey of 4-methyl-2H-benzotriazole;morpholine?
The InChIKey is OBJUWGLRDUCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C4H9NO/c1-5-3-2-4-6-7(5)9-10-8-6;1-3-6-4-2-5-1/h2-4H,1H3,(H,8,9,10);5H,1-4H2.
What are the key properties of 4-methyl-2H-benzotriazole;morpholine?
4-methyl-2H-benzotriazole;morpholine has a molecular weight of 220.28 g/mol, XLogP of 0.87, 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;morpholine is sourced from PubChem (CID 159945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).