4-(3-propan-2-ylbenzotriazol-5-yl)morpholine

C13H18N4O — CID 178059257

IUPAC4-(3-propan-2-ylbenzotriazol-5-yl)morpholine
SMILESCC(C)n1nnc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C13H18N4O/c1-10(2)17-13-9-11(3-4-12(13)14-15-17)16-5-7-18-8-6-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHUUDIKDJPPGUMT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds2

About 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine

4-(3-propan-2-ylbenzotriazol-5-yl)morpholine (PubChem CID 178059257) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-propan-2-ylbenzotriazol-5-yl)morpholine
PubChem CID178059257
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(3-propan-2-ylbenzotriazol-5-yl)morpholine
SMILESCC(C)n1nnc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C13H18N4O/c1-10(2)17-13-9-11(3-4-12(13)14-15-17)16-5-7-18-8-6-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHUUDIKDJPPGUMT-UHFFFAOYSA-N
XLogP1.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine?
The IUPAC name of 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine (CID 178059257) is 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine.
What is the SMILES notation for 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine?
The canonical SMILES for 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine is CC(C)n1nnc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine?
The InChIKey is HUUDIKDJPPGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)17-13-9-11(3-4-12(13)14-15-17)16-5-7-18-8-6-16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine?
4-(3-propan-2-ylbenzotriazol-5-yl)morpholine has a molecular weight of 246.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylbenzotriazol-5-yl)morpholine is sourced from PubChem (CID 178059257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).