2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide

C11H19N5O — CID 114387513

IUPAC2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
SMILESCc1nnc(NC(=O)CNC(C)(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-7-8(2)15-16-10(13-7)14-9(17)6-12-11(3,4)5/h12H,6H2,1-5H3,(H,13,14,16,17)
InChIKeyKGPAVLLVJFABDL-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds3

About 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide

2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide (PubChem CID 114387513) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
PubChem CID114387513
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
SMILESCc1nnc(NC(=O)CNC(C)(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-7-8(2)15-16-10(13-7)14-9(17)6-12-11(3,4)5/h12H,6H2,1-5H3,(H,13,14,16,17)
InChIKeyKGPAVLLVJFABDL-UHFFFAOYSA-N
XLogP0.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide (CID 114387513) is 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide is Cc1nnc(NC(=O)CNC(C)(C)C)nc1C.
What is the InChIKey of 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The InChIKey is KGPAVLLVJFABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-8(2)15-16-10(13-7)14-9(17)6-12-11(3,4)5/h12H,6H2,1-5H3,(H,13,14,16,17).
What are the key properties of 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide has a molecular weight of 237.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide is sourced from PubChem (CID 114387513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).