2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine

C11H15N5O — CID 123932780

IUPAC2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine
SMILES[H]/N=C(\N1CCOCC1)N1NNc2ccccc21
InChIInChI=1S/C11H15N5O/c12-11(15-5-7-17-8-6-15)16-10-4-2-1-3-9(10)13-14-16/h1-4,12-14H,5-8H2/b12-11+
InChIKeyGYUSDUGXADHXTD-VAWYXSNFSA-N
MW233.28 g/mol
LogP0.61
Rot. Bonds

About 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine

2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine (PubChem CID 123932780) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine.

Molecular Properties

Compound Name2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine
PubChem CID123932780
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine
SMILES[H]/N=C(\N1CCOCC1)N1NNc2ccccc21
InChIInChI=1S/C11H15N5O/c12-11(15-5-7-17-8-6-15)16-10-4-2-1-3-9(10)13-14-16/h1-4,12-14H,5-8H2/b12-11+
InChIKeyGYUSDUGXADHXTD-VAWYXSNFSA-N
XLogP0.61
TPSA63.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine?
The IUPAC name of 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine (CID 123932780) is 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine.
What is the SMILES notation for 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine?
The canonical SMILES for 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine is [H]/N=C(\N1CCOCC1)N1NNc2ccccc21.
What is the InChIKey of 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine?
The InChIKey is GYUSDUGXADHXTD-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15N5O/c12-11(15-5-7-17-8-6-15)16-10-4-2-1-3-9(10)13-14-16/h1-4,12-14H,5-8H2/b12-11+.
What are the key properties of 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine?
2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine has a molecular weight of 233.28 g/mol, XLogP of 0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzotriazol-1-yl(morpholin-4-yl)methanimine is sourced from PubChem (CID 123932780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).