N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C6H10N4O3 — CID 136831990

IUPACN-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-13-3-2-7-5(11)4-8-6(12)10-9-4/h2-3H2,1H3,(H,7,11)(H2,8,9,10,12)
InChIKeyGMVPGKZQZOSYAL-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.53
Rot. Bonds4

About N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136831990) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136831990
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC NameN-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-13-3-2-7-5(11)4-8-6(12)10-9-4/h2-3H2,1H3,(H,7,11)(H2,8,9,10,12)
InChIKeyGMVPGKZQZOSYAL-UHFFFAOYSA-N
XLogP-1.53
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136951777
6-(1-methoxypropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410678
6-(2-methoxyethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410714
6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43646874
6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 62844169
6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 63767021
6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 83030594
6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 93039890
6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione
CID 102699019
6-[2-[2-(dimethylamino)ethoxy]ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 104705426
6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 106182200
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 112684569

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136831990) is N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is COCCNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is GMVPGKZQZOSYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-13-3-2-7-5(11)4-8-6(12)10-9-4/h2-3H2,1H3,(H,7,11)(H2,8,9,10,12).
What are the key properties of N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 186.17 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136831990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).