5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H18N4O3 — CID 137179546

IUPAC5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-6(2)8-7(3-4-18-8)5-12-10(16)9-13-11(17)15-14-9/h6-8H,3-5H2,1-2H3,(H,12,16)(H2,13,14,15,17)/t7-,8-/m1/s1
InChIKeyNDSCWRZJIZSZTC-HTQZYQBOSA-N
MW254.29 g/mol
LogP-0.11
Rot. Bonds4

About 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide

5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137179546) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137179546
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-6(2)8-7(3-4-18-8)5-12-10(16)9-13-11(17)15-14-9/h6-8H,3-5H2,1-2H3,(H,12,16)(H2,13,14,15,17)/t7-,8-/m1/s1
InChIKeyNDSCWRZJIZSZTC-HTQZYQBOSA-N
XLogP-0.11
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-(3-ethoxy-2,2-diethylcyclobutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136226380
6-[(2-methyloxolan-3-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 105741366
6-[(2-Ethyloxolan-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 105742946
6-[(2-ethyloxolan-3-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 114106362
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136227522
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673957
N-[(1S,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673958
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673959
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673960

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137179546) is 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is NDSCWRZJIZSZTC-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)8-7(3-4-18-8)5-12-10(16)9-13-11(17)15-14-9/h6-8H,3-5H2,1-2H3,(H,12,16)(H2,13,14,15,17)/t7-,8-/m1/s1.
What are the key properties of 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137179546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).