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

C9H18N6O6 — CID 71348070

IUPACacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.3C2H4O2/c4-1-7-2(5)9-3(6)8-1;3*1-2(3)4/h(H6,4,5,6,7,8,9);3*1H3,(H,3,4)
InChIKeyOKLGMNOEMHKDNY-UHFFFAOYSA-N
MW306.28 g/mol
LogP-1.11
Rot. Bonds

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

acetic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 71348070) has the molecular formula C9H18N6O6 and a molecular weight of 306.28 g/mol. Its IUPAC name is acetic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameacetic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID71348070
Molecular FormulaC9H18N6O6
Molecular Weight306.28 g/mol
Exact Mass306.13
IUPAC Nameacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.3C2H4O2/c4-1-7-2(5)9-3(6)8-1;3*1-2(3)4/h(H6,4,5,6,7,8,9);3*1H3,(H,3,4)
InChIKeyOKLGMNOEMHKDNY-UHFFFAOYSA-N
XLogP-1.11
TPSA228.63 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 19838954
Propanoic acid;1,3,5-triazine-2,4,6-triamine
CID 67793102
2-Methylpropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 69776056
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 85726043
Butanoic acid;1,3,5-triazine-2,4,6-triamine
CID 85829353
CID 157547635
CID 157547635
Acetic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159069551
Acetic acid;[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 159304701
Azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159977811
Propanoic acid;1,3,5-triazine-2,4,6-triamine
CID 160265804
acetic acid;2-methylguanidine;2-N-methyl-1,3,5-triazine-2,4,6-triamine;methylurea
CID 160381763

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of acetic acid;1,3,5-triazine-2,4,6-triamine (CID 71348070) is acetic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for acetic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for acetic acid;1,3,5-triazine-2,4,6-triamine is CC(=O)O.CC(=O)O.CC(=O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of acetic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is OKLGMNOEMHKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.3C2H4O2/c4-1-7-2(5)9-3(6)8-1;3*1-2(3)4/h(H6,4,5,6,7,8,9);3*1H3,(H,3,4).
What are the key properties of acetic acid;1,3,5-triazine-2,4,6-triamine?
acetic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.28 g/mol, XLogP of -1.11, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 71348070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).