N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide

C7H11N5O — CID 132849067

IUPACN-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1nccnn1
InChIInChI=1S/C7H11N5O/c1-6(13)8-2-3-9-7-10-4-5-11-12-7/h4-5H,2-3H2,1H3,(H,8,13)(H,9,10,12)
InChIKeyRRYUMCOYEUXJMY-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.58
Rot. Bonds4

About N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide

N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide (PubChem CID 132849067) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide
PubChem CID132849067
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1nccnn1
InChIInChI=1S/C7H11N5O/c1-6(13)8-2-3-9-7-10-4-5-11-12-7/h4-5H,2-3H2,1H3,(H,8,13)(H,9,10,12)
InChIKeyRRYUMCOYEUXJMY-UHFFFAOYSA-N
XLogP-0.58
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide (CID 132849067) is N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide is CC(=O)NCCNc1nccnn1.
What is the InChIKey of N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide?
The InChIKey is RRYUMCOYEUXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-6(13)8-2-3-9-7-10-4-5-11-12-7/h4-5H,2-3H2,1H3,(H,8,13)(H,9,10,12).
What are the key properties of N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide?
N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide has a molecular weight of 181.20 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazin-3-ylamino)ethyl]acetamide is sourced from PubChem (CID 132849067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).