morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone

C7H10N4O2 — CID 3581304

IUPACmorpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCOCC1
InChIInChI=1S/C7H10N4O2/c12-7(6-8-5-9-10-6)11-1-3-13-4-2-11/h5H,1-4H2,(H,8,9,10)
InChIKeyQAMJVOSESXUGTE-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.72
Rot. Bonds1

About morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone

morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 3581304) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone
PubChem CID3581304
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Namemorpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCOCC1
InChIInChI=1S/C7H10N4O2/c12-7(6-8-5-9-10-6)11-1-3-13-4-2-11/h5H,1-4H2,(H,8,9,10)
InChIKeyQAMJVOSESXUGTE-UHFFFAOYSA-N
XLogP-0.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone (CID 3581304) is morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is QAMJVOSESXUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(6-8-5-9-10-6)11-1-3-13-4-2-11/h5H,1-4H2,(H,8,9,10).
What are the key properties of morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone?
morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 182.18 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 3581304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).