disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate

C9H11N5Na2O4 — CID 148512719

IUPACdisodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate
SMILESCCc1nc(NCC(=O)[O-])nc(NCC(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C9H13N5O4.2Na/c1-2-5-12-8(10-3-6(15)16)14-9(13-5)11-4-7(17)18;;/h2-4H2,1H3,(H,15,16)(H,17,18)(H2,10,11,12,13,14);;/q;2*+1/p-2
InChIKeyMMUZLJKBLAQQCL-UHFFFAOYSA-L
MW299.20 g/mol
LogP-9.23
Rot. Bonds7

About disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate

disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 148512719) has the molecular formula C9H11N5Na2O4 and a molecular weight of 299.20 g/mol. Its IUPAC name is disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namedisodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate
PubChem CID148512719
Molecular FormulaC9H11N5Na2O4
Molecular Weight299.20 g/mol
Exact Mass299.06
IUPAC Namedisodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate
SMILESCCc1nc(NCC(=O)[O-])nc(NCC(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C9H13N5O4.2Na/c1-2-5-12-8(10-3-6(15)16)14-9(13-5)11-4-7(17)18;;/h2-4H2,1H3,(H,15,16)(H,17,18)(H2,10,11,12,13,14);;/q;2*+1/p-2
InChIKeyMMUZLJKBLAQQCL-UHFFFAOYSA-L
XLogP-9.23
TPSA142.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 5-9.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

N,4-diethyl-6-methyl-1,3,5-triazin-2-amine
CID 21337127
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
N-(4-ethyl-6-methyl-1,3,5-triazin-2-yl)hydroxylamine
CID 89384757
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
sodium 2-(carboxyamino)acetate
CID 58758121
[[4,6-bis(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol;formaldehyde
CID 70584299
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
CID 175185919
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
tetrasodium;2-[[4-[4-[(E)-2-[4-[[4-(carboxylatomethylamino)-6-[2-(3,5-ditert-butyl-4-oxidophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-[2-(3,5-ditert-butyl-4-oxidophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]acetate
CID 101383077
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612

Frequently Asked Questions

What is the IUPAC name of disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate (CID 148512719) is disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate is CCc1nc(NCC(=O)[O-])nc(NCC(=O)[O-])n1.[Na+].[Na+].
What is the InChIKey of disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is MMUZLJKBLAQQCL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13N5O4.2Na/c1-2-5-12-8(10-3-6(15)16)14-9(13-5)11-4-7(17)18;;/h2-4H2,1H3,(H,15,16)(H,17,18)(H2,10,11,12,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate?
disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 299.20 g/mol, XLogP of -9.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[[4-(carboxylatomethylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 148512719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).