N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide

C8H14N4O2 — CID 83092477

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)5(13)9-6-10-7(14-4)12-11-6/h1-4H3,(H2,9,10,11,12,13)
InChIKeyCPXKPNCMXPYUNK-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.80
Rot. Bonds2

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 83092477) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide
PubChem CID83092477
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)5(13)9-6-10-7(14-4)12-11-6/h1-4H3,(H2,9,10,11,12,13)
InChIKeyCPXKPNCMXPYUNK-UHFFFAOYSA-N
XLogP0.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide (CID 83092477) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide is COc1n[nH]c(NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is CPXKPNCMXPYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)5(13)9-6-10-7(14-4)12-11-6/h1-4H3,(H2,9,10,11,12,13).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 198.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 83092477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).