acetic acid;1,3,5-triazin-2-amine

C5H8N4O2 — CID 174479402

IUPACacetic acid;1,3,5-triazin-2-amine
SMILESCC(=O)O.Nc1ncncn1
InChIInChI=1S/C3H4N4.C2H4O2/c4-3-6-1-5-2-7-3;1-2(3)4/h1-2H,(H2,4,5,6,7);1H3,(H,3,4)
InChIKeyUJDXPCYHVWERSN-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.46
Rot. Bonds

About acetic acid;1,3,5-triazin-2-amine

acetic acid;1,3,5-triazin-2-amine (PubChem CID 174479402) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is acetic acid;1,3,5-triazin-2-amine.

Molecular Properties

Compound Nameacetic acid;1,3,5-triazin-2-amine
PubChem CID174479402
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Nameacetic acid;1,3,5-triazin-2-amine
SMILESCC(=O)O.Nc1ncncn1
InChIInChI=1S/C3H4N4.C2H4O2/c4-3-6-1-5-2-7-3;1-2(3)4/h1-2H,(H2,4,5,6,7);1H3,(H,3,4)
InChIKeyUJDXPCYHVWERSN-UHFFFAOYSA-N
XLogP-0.46
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
1,3,5-Triazine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 162334623
1,3,5-Triazin-2-yl acetate
CID 18676248
Acetic acid;1-methyl-1,3,5-triazin-1-ium;acetate
CID 21689622
Acetic acid;1,3,5-triazine
CID 21844786
1-Methyl-1,3,5-triazin-1-ium acetate
CID 22998712
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 85726043
Acetic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159069551
2-Aminoacetic acid;1,3,5-triazine
CID 159767782
Acetic acid;1,3,5-triazine
CID 160414656
Butanoic acid;1,3,5-triazine
CID 162067736
Propanoic acid;1,3,5-triazine
CID 163846702

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3,5-triazin-2-amine?
The IUPAC name of acetic acid;1,3,5-triazin-2-amine (CID 174479402) is acetic acid;1,3,5-triazin-2-amine.
What is the SMILES notation for acetic acid;1,3,5-triazin-2-amine?
The canonical SMILES for acetic acid;1,3,5-triazin-2-amine is CC(=O)O.Nc1ncncn1.
What is the InChIKey of acetic acid;1,3,5-triazin-2-amine?
The InChIKey is UJDXPCYHVWERSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.C2H4O2/c4-3-6-1-5-2-7-3;1-2(3)4/h1-2H,(H2,4,5,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;1,3,5-triazin-2-amine?
acetic acid;1,3,5-triazin-2-amine has a molecular weight of 156.15 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3,5-triazin-2-amine is sourced from PubChem (CID 174479402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).