2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide

C7H11N5O — CID 114448156

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide
SMILESCc1nnc(NCC(N)=O)nc1C
InChIInChI=1S/C7H11N5O/c1-4-5(2)11-12-7(10-4)9-3-6(8)13/h3H2,1-2H3,(H2,8,13)(H,9,10,12)
InChIKeyZVHABYKDWQAQQA-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.61
Rot. Bonds3

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide (PubChem CID 114448156) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide
PubChem CID114448156
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide
SMILESCc1nnc(NCC(N)=O)nc1C
InChIInChI=1S/C7H11N5O/c1-4-5(2)11-12-7(10-4)9-3-6(8)13/h3H2,1-2H3,(H2,8,13)(H,9,10,12)
InChIKeyZVHABYKDWQAQQA-UHFFFAOYSA-N
XLogP-0.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide (CID 114448156) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide is Cc1nnc(NCC(N)=O)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide?
The InChIKey is ZVHABYKDWQAQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-4-5(2)11-12-7(10-4)9-3-6(8)13/h3H2,1-2H3,(H2,8,13)(H,9,10,12).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide has a molecular weight of 181.20 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetamide is sourced from PubChem (CID 114448156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).