(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide

C11H19N5O — CID 104919450

IUPAC(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
SMILESCc1nnc(NC(=O)[C@H](N)C(C)(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-6-7(2)15-16-10(13-6)14-9(17)8(12)11(3,4)5/h8H,12H2,1-5H3,(H,13,14,16,17)/t8-/m0/s1
InChIKeyFGLUTPVWRPAXAA-QMMMGPOBSA-N
MW237.31 g/mol
LogP0.80
Rot. Bonds2

About (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide (PubChem CID 104919450) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
PubChem CID104919450
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
SMILESCc1nnc(NC(=O)[C@H](N)C(C)(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-6-7(2)15-16-10(13-6)14-9(17)8(12)11(3,4)5/h8H,12H2,1-5H3,(H,13,14,16,17)/t8-/m0/s1
InChIKeyFGLUTPVWRPAXAA-QMMMGPOBSA-N
XLogP0.80
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide 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 (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide (CID 104919450) is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide is Cc1nnc(NC(=O)[C@H](N)C(C)(C)C)nc1C.
What is the InChIKey of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
The InChIKey is FGLUTPVWRPAXAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6-7(2)15-16-10(13-6)14-9(17)8(12)11(3,4)5/h8H,12H2,1-5H3,(H,13,14,16,17)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide has a molecular weight of 237.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).