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

C9H16N4O2 — CID 83092278

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C9H16N4O2/c1-5-9(2,3)6(14)10-7-11-8(15-4)13-12-7/h5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyWMFBBJWYCUOUDR-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.19
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide (PubChem CID 83092278) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide
PubChem CID83092278
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C9H16N4O2/c1-5-9(2,3)6(14)10-7-11-8(15-4)13-12-7/h5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyWMFBBJWYCUOUDR-UHFFFAOYSA-N
XLogP1.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.19
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-dimethylbutanamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide (CID 83092278) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide?
The InChIKey is WMFBBJWYCUOUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5-9(2,3)6(14)10-7-11-8(15-4)13-12-7/h5H2,1-4H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,2-dimethylbutanamide has a molecular weight of 212.25 g/mol, XLogP of 1.19, 4 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-dimethylbutanamide is sourced from PubChem (CID 83092278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).