2H-benzotriazole;morpholine

C10H14N4O — CID 23134831

IUPAC2H-benzotriazole;morpholine
SMILESC1COCCN1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C4H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6-4-2-5-1/h1-4H,(H,7,8,9);5H,1-4H2
InChIKeyOZIKLUQNNGASRY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.56
Rot. Bonds

About 2H-benzotriazole;morpholine

2H-benzotriazole;morpholine (PubChem CID 23134831) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2H-benzotriazole;morpholine.

Molecular Properties

Compound Name2H-benzotriazole;morpholine
PubChem CID23134831
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2H-benzotriazole;morpholine
SMILESC1COCCN1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C4H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6-4-2-5-1/h1-4H,(H,7,8,9);5H,1-4H2
InChIKeyOZIKLUQNNGASRY-UHFFFAOYSA-N
XLogP0.56
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;morpholine?
The IUPAC name of 2H-benzotriazole;morpholine (CID 23134831) is 2H-benzotriazole;morpholine.
What is the SMILES notation for 2H-benzotriazole;morpholine?
The canonical SMILES for 2H-benzotriazole;morpholine is C1COCCN1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;morpholine?
The InChIKey is OZIKLUQNNGASRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C4H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6-4-2-5-1/h1-4H,(H,7,8,9);5H,1-4H2.
What are the key properties of 2H-benzotriazole;morpholine?
2H-benzotriazole;morpholine has a molecular weight of 206.25 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;morpholine is sourced from PubChem (CID 23134831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).