N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

C7H11N5O3 — CID 112674372

IUPACN-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NOCC(N)=O)n[nH]1
InChIInChI=1S/C7H11N5O3/c1-2-5-9-6(11-10-5)7(14)12-15-3-4(8)13/h2-3H2,1H3,(H2,8,13)(H,12,14)(H,9,10,11)
InChIKeyCZMBUYQFVUVCLH-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.49
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 112674372) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID112674372
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC NameN-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NOCC(N)=O)n[nH]1
InChIInChI=1S/C7H11N5O3/c1-2-5-9-6(11-10-5)7(14)12-15-3-4(8)13/h2-3H2,1H3,(H2,8,13)(H,12,14)(H,9,10,11)
InChIKeyCZMBUYQFVUVCLH-UHFFFAOYSA-N
XLogP-1.49
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114101659
5-ethyl-N-octan-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 114138257
(2S)-5-ethoxy-2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039200
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 81131094
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786211
5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106391218

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 112674372) is N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NOCC(N)=O)n[nH]1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is CZMBUYQFVUVCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-2-5-9-6(11-10-5)7(14)12-15-3-4(8)13/h2-3H2,1H3,(H2,8,13)(H,12,14)(H,9,10,11).
What are the key properties of N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 213.20 g/mol, XLogP of -1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 112674372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).