4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate

C8H12N5O2- — CID 6922111

IUPAC4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate
SMILESCCNc1nc(NCC)nc(C(=O)[O-])n1
InChIInChI=1S/C8H13N5O2/c1-3-9-7-11-5(6(14)15)12-8(13-7)10-4-2/h3-4H2,1-2H3,(H,14,15)(H2,9,10,11,12,13)/p-1
InChIKeyZTNYQCIJFDDUHS-UHFFFAOYSA-M
MW210.22 g/mol
LogP-0.90
Rot. Bonds5

About 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate

4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate (PubChem CID 6922111) has the molecular formula C8H12N5O2- and a molecular weight of 210.22 g/mol. Its IUPAC name is 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate
PubChem CID6922111
Molecular FormulaC8H12N5O2-
Molecular Weight210.22 g/mol
Exact Mass210.10
IUPAC Name4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate
SMILESCCNc1nc(NCC)nc(C(=O)[O-])n1
InChIInChI=1S/C8H13N5O2/c1-3-9-7-11-5(6(14)15)12-8(13-7)10-4-2/h3-4H2,1-2H3,(H,14,15)(H2,9,10,11,12,13)/p-1
InChIKeyZTNYQCIJFDDUHS-UHFFFAOYSA-M
XLogP-0.90
TPSA102.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
The IUPAC name of 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate (CID 6922111) is 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate is CCNc1nc(NCC)nc(C(=O)[O-])n1.
What is the InChIKey of 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
The InChIKey is ZTNYQCIJFDDUHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N5O2/c1-3-9-7-11-5(6(14)15)12-8(13-7)10-4-2/h3-4H2,1-2H3,(H,14,15)(H2,9,10,11,12,13)/p-1.
What are the key properties of 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate has a molecular weight of 210.22 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 6922111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).