5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide

C11H18N4O3 — CID 81131094

IUPAC5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCOCC2)n[nH]1
InChIInChI=1S/C11H18N4O3/c1-2-8-13-9(15-14-8)10(16)12-7-11(17)3-5-18-6-4-11/h17H,2-7H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyJYNSZKJPRKBOGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.36
Rot. Bonds4

About 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 81131094) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID81131094
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCOCC2)n[nH]1
InChIInChI=1S/C11H18N4O3/c1-2-8-13-9(15-14-8)10(16)12-7-11(17)3-5-18-6-4-11/h17H,2-7H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyJYNSZKJPRKBOGA-UHFFFAOYSA-N
XLogP-0.36
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114095110
5-tert-butyl-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106102988
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 105420046
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 81134167
4-amino-5-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114143262
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
N-[(4-hydroxyoxan-4-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 79037247
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761
N-[(4-hydroxyoxan-4-yl)methyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79490169
N-[(4-hydroxyoxan-4-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 79039754
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 81131094) is 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC2(O)CCOCC2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is JYNSZKJPRKBOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-8-13-9(15-14-8)10(16)12-7-11(17)3-5-18-6-4-11/h17H,2-7H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 81131094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).