N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H18N4O3 — CID 137255579

IUPACN-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-2-15(7-8-5-3-4-6-18-8)10(16)9-12-11(17)14-13-9/h8H,2-7H2,1H3,(H2,12,13,14,17)
InChIKeyFFDYBSXFDSZTJV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.13
Rot. Bonds4

About N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137255579) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137255579
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-2-15(7-8-5-3-4-6-18-8)10(16)9-12-11(17)14-13-9/h8H,2-7H2,1H3,(H2,12,13,14,17)
InChIKeyFFDYBSXFDSZTJV-UHFFFAOYSA-N
XLogP0.13
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxyhexan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136234952
2,4-Dimethyl-6-(oxan-2-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 55014478
6-(oxan-2-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 61609412
3-(2-Propylmorpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136315881
3-[(2R)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706827
3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706828
N-[(2S)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136778410
N-[(2R)-1-methoxyhexan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136778411
5-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 157013538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137255579) is N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCN(CC1CCCCO1)C(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is FFDYBSXFDSZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-15(7-8-5-3-4-6-18-8)10(16)9-12-11(17)14-13-9/h8H,2-7H2,1H3,(H2,12,13,14,17).
What are the key properties of N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-2-ylmethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137255579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).