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

C9H11ClN8O2 — CID 106240091

IUPAC2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C9H11ClN8O2/c10-7-15-8(13-1-2-20-3-6(11)19)17-9(16-7)18-5-12-4-14-18/h4-5H,1-3H2,(H2,11,19)(H,13,15,16,17)
InChIKeyVMIHXYICAIBRBP-UHFFFAOYSA-N
MW298.69 g/mol
LogP-0.98
Rot. Bonds7

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

2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide (PubChem CID 106240091) has the molecular formula C9H11ClN8O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide
PubChem CID106240091
Molecular FormulaC9H11ClN8O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C9H11ClN8O2/c10-7-15-8(13-1-2-20-3-6(11)19)17-9(16-7)18-5-12-4-14-18/h4-5H,1-3H2,(H2,11,19)(H,13,15,16,17)
InChIKeyVMIHXYICAIBRBP-UHFFFAOYSA-N
XLogP-0.98
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide with MolForge

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Related Compounds

4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215607
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215293
4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195533
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
N-but-3-ynyl-4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106194914
4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 62864218
4-chloro-N-[(E)-pent-3-enyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195902
4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864636
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106346838

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide (CID 106240091) is 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide is NC(=O)COCCNc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide?
The InChIKey is VMIHXYICAIBRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN8O2/c10-7-15-8(13-1-2-20-3-6(11)19)17-9(16-7)18-5-12-4-14-18/h4-5H,1-3H2,(H2,11,19)(H,13,15,16,17).
What are the key properties of 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide?
2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide has a molecular weight of 298.69 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106240091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).