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

C8H13N5O2 — CID 18873860

IUPAC2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ncn[nH]1
InChIInChI=1S/C8H13N5O2/c14-7(11-8-9-6-10-12-8)5-13-1-3-15-4-2-13/h6H,1-5H2,(H2,9,10,11,12,14)
InChIKeyKXCGYFGYSOFOTH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.92
Rot. Bonds3

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

2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 18873860) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID18873860
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ncn[nH]1
InChIInChI=1S/C8H13N5O2/c14-7(11-8-9-6-10-12-8)5-13-1-3-15-4-2-13/h6H,1-5H2,(H2,9,10,11,12,14)
InChIKeyKXCGYFGYSOFOTH-UHFFFAOYSA-N
XLogP-0.92
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 62945639
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CID 155512356
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
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2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
CID 661163
N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
CID 46844280
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 18873860) is 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CN1CCOCC1)Nc1ncn[nH]1.
What is the InChIKey of 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KXCGYFGYSOFOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-7(11-8-9-6-10-12-8)5-13-1-3-15-4-2-13/h6H,1-5H2,(H2,9,10,11,12,14).
What are the key properties of 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 18873860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).