N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

C11H18N4O2 — CID 103824832

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCOC1CC(NC(=O)c2ncn[nH]2)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-4-17-8-5-7(11(8,2)3)14-10(16)9-12-6-13-15-9/h6-8H,4-5H2,1-3H3,(H,14,16)(H,12,13,15)
InChIKeyKKOVZOOPXKHXJU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103824832) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID103824832
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCOC1CC(NC(=O)c2ncn[nH]2)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-4-17-8-5-7(11(8,2)3)14-10(16)9-12-6-13-15-9/h6-8H,4-5H2,1-3H3,(H,14,16)(H,12,13,15)
InChIKeyKKOVZOOPXKHXJU-UHFFFAOYSA-N
XLogP0.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (CID 103824832) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is CCOC1CC(NC(=O)c2ncn[nH]2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KKOVZOOPXKHXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-17-8-5-7(11(8,2)3)14-10(16)9-12-6-13-15-9/h6-8H,4-5H2,1-3H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103824832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).