prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate

C8H10N4O2 — CID 139627393

IUPACprop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate
SMILESC=CCOC(=O)CNc1ncncn1
InChIInChI=1S/C8H10N4O2/c1-2-3-14-7(13)4-10-8-11-5-9-6-12-8/h2,5-6H,1,3-4H2,(H,9,10,11,12)
InChIKeyALBRZMBDSCPPDP-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.01
Rot. Bonds5

About prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate

prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate (PubChem CID 139627393) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate
PubChem CID139627393
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Nameprop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate
SMILESC=CCOC(=O)CNc1ncncn1
InChIInChI=1S/C8H10N4O2/c1-2-3-14-7(13)4-10-8-11-5-9-6-12-8/h2,5-6H,1,3-4H2,(H,9,10,11,12)
InChIKeyALBRZMBDSCPPDP-UHFFFAOYSA-N
XLogP0.01
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate?
The IUPAC name of prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate (CID 139627393) is prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate.
What is the SMILES notation for prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate?
The canonical SMILES for prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate is C=CCOC(=O)CNc1ncncn1.
What is the InChIKey of prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate?
The InChIKey is ALBRZMBDSCPPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-2-3-14-7(13)4-10-8-11-5-9-6-12-8/h2,5-6H,1,3-4H2,(H,9,10,11,12).
What are the key properties of prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate?
prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate has a molecular weight of 194.19 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(1,3,5-triazin-2-ylamino)acetate is sourced from PubChem (CID 139627393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).