acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine

C7H13N5O2 — CID 67218325

IUPACacetic acid;6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCC(=O)O.CCc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5.C2H4O2/c1-2-3-8-4(6)10-5(7)9-3;1-2(3)4/h2H2,1H3,(H4,6,7,8,9,10);1H3,(H,3,4)
InChIKeyGZAXYKSWBCLQSH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.31
Rot. Bonds1

About acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine

acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 67218325) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameacetic acid;6-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID67218325
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Nameacetic acid;6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCC(=O)O.CCc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5.C2H4O2/c1-2-3-8-4(6)10-5(7)9-3;1-2(3)4/h2H2,1H3,(H4,6,7,8,9,10);1H3,(H,3,4)
InChIKeyGZAXYKSWBCLQSH-UHFFFAOYSA-N
XLogP-0.31
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine (CID 67218325) is acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine is CC(=O)O.CCc1nc(N)nc(N)n1.
What is the InChIKey of acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GZAXYKSWBCLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5.C2H4O2/c1-2-3-8-4(6)10-5(7)9-3;1-2(3)4/h2H2,1H3,(H4,6,7,8,9,10);1H3,(H,3,4).
What are the key properties of acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine?
acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 199.21 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67218325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).