morpholin-4-yl(triazol-2-yl)methanone

C7H10N4O2 — CID 56593103

IUPACmorpholin-4-yl(triazol-2-yl)methanone
SMILESO=C(N1CCOCC1)n1nccn1
InChIInChI=1S/C7H10N4O2/c12-7(11-8-1-2-9-11)10-3-5-13-6-4-10/h1-2H,3-6H2
InChIKeyOVWVKJYVYKMCJG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.42
Rot. Bonds

About morpholin-4-yl(triazol-2-yl)methanone

morpholin-4-yl(triazol-2-yl)methanone (PubChem CID 56593103) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is morpholin-4-yl(triazol-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(triazol-2-yl)methanone
PubChem CID56593103
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Namemorpholin-4-yl(triazol-2-yl)methanone
SMILESO=C(N1CCOCC1)n1nccn1
InChIInChI=1S/C7H10N4O2/c12-7(11-8-1-2-9-11)10-3-5-13-6-4-10/h1-2H,3-6H2
InChIKeyOVWVKJYVYKMCJG-UHFFFAOYSA-N
XLogP-0.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(triazol-2-yl)methanone?
The IUPAC name of morpholin-4-yl(triazol-2-yl)methanone (CID 56593103) is morpholin-4-yl(triazol-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl(triazol-2-yl)methanone?
The canonical SMILES for morpholin-4-yl(triazol-2-yl)methanone is O=C(N1CCOCC1)n1nccn1.
What is the InChIKey of morpholin-4-yl(triazol-2-yl)methanone?
The InChIKey is OVWVKJYVYKMCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(11-8-1-2-9-11)10-3-5-13-6-4-10/h1-2H,3-6H2.
What are the key properties of morpholin-4-yl(triazol-2-yl)methanone?
morpholin-4-yl(triazol-2-yl)methanone has a molecular weight of 182.18 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(triazol-2-yl)methanone is sourced from PubChem (CID 56593103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).