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

C5H10N6O2 — CID 68833760

IUPACacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;1-2(3)4/h(H6,4,5,6,7,8,9);1H3,(H,3,4)
InChIKeyRHNMFWJPEQPWMO-UHFFFAOYSA-N
MW186.18 g/mol
LogP-1.29
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 68833760) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 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 CID68833760
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Nameacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;1-2(3)4/h(H6,4,5,6,7,8,9);1H3,(H,3,4)
InChIKeyRHNMFWJPEQPWMO-UHFFFAOYSA-N
XLogP-1.29
TPSA154.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-Aminoacetic acid;1,3,5-triazine-2,4,6-triamine
CID 19091153
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 19838954
2-Methylpropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 69776056
Carbonic acid;ethene;1,3,5-triazine-2,4,6-triamine
CID 69915496
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 71348070
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
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
CID 159515506
2-Oxopropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 160243587
Propanoic acid;1,3,5-triazine-2,4,6-triamine
CID 160265804

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 68833760) 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.Nc1nc(N)nc(N)n1.
What is the InChIKey of acetic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is RHNMFWJPEQPWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;1-2(3)4/h(H6,4,5,6,7,8,9);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 186.18 g/mol, XLogP of -1.29, 0 rotatable bonds, 4 hydrogen bond donors, and 7 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 68833760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).