2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide

C9H14N4O — CID 134581635

IUPAC2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1ncncn1
InChIInChI=1S/C9H14N4O/c1-9(2,3)8(14)11-4-7-12-5-10-6-13-7/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeyHWURZOMXFDSVMA-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.53
Rot. Bonds2

About 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide

2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide (PubChem CID 134581635) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide
PubChem CID134581635
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1ncncn1
InChIInChI=1S/C9H14N4O/c1-9(2,3)8(14)11-4-7-12-5-10-6-13-7/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeyHWURZOMXFDSVMA-UHFFFAOYSA-N
XLogP0.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide (CID 134581635) is 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide is CC(C)(C)C(=O)NCc1ncncn1.
What is the InChIKey of 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide?
The InChIKey is HWURZOMXFDSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(2,3)8(14)11-4-7-12-5-10-6-13-7/h5-6H,4H2,1-3H3,(H,11,14).
What are the key properties of 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide?
2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide has a molecular weight of 194.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide is sourced from PubChem (CID 134581635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).