4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one

C8H14N4O2 — CID 130641115

IUPAC4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCC1CNCCO1
InChIInChI=1S/C8H14N4O2/c13-8-11-10-6-12(8)3-1-7-5-9-2-4-14-7/h6-7,9H,1-5H2,(H,11,13)
InChIKeySAJLHBDYWVOFID-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.05
Rot. Bonds3

About 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one

4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 130641115) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID130641115
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCC1CNCCO1
InChIInChI=1S/C8H14N4O2/c13-8-11-10-6-12(8)3-1-7-5-9-2-4-14-7/h6-7,9H,1-5H2,(H,11,13)
InChIKeySAJLHBDYWVOFID-UHFFFAOYSA-N
XLogP-1.05
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]morpholine
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1-(2-morpholin-2-ylethyl)-4-propan-2-ylimidazolidin-2-one
CID 116980660
2-[2-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
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2-morpholin-2-ylethanol;hydrofluoride
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2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine
CID 174646195
2-[2-(4-methylpiperidin-1-yl)ethyl]morpholine
CID 66428554
3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
CID 115324122
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
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1,3-di(morpholin-2-yl)propan-1-one
CID 174895095
N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 66428762

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one (CID 130641115) is 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCC1CNCCO1.
What is the InChIKey of 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is SAJLHBDYWVOFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c13-8-11-10-6-12(8)3-1-7-5-9-2-4-14-7/h6-7,9H,1-5H2,(H,11,13).
What are the key properties of 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one?
4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 198.23 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-2-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 130641115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).