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

C12H18N6O2 — CID 46990915

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1ncn[nH]1
InChIInChI=1S/C12H18N6O2/c1-4-18(12(19)11-13-7-14-16-11)6-9-15-10(20-17-9)5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyNIZCGFYYWRMECW-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.05
Rot. Bonds6

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

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 46990915) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID46990915
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1ncn[nH]1
InChIInChI=1S/C12H18N6O2/c1-4-18(12(19)11-13-7-14-16-11)6-9-15-10(20-17-9)5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyNIZCGFYYWRMECW-UHFFFAOYSA-N
XLogP1.05
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (CID 46990915) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1ncn[nH]1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NIZCGFYYWRMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-18(12(19)11-13-7-14-16-11)6-9-15-10(20-17-9)5-8(2)3/h7-8H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 46990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).