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

C15H30N6O12 — CID 19838954

IUPACacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.6C2H4O2/c4-1-7-2(5)9-3(6)8-1;6*1-2(3)4/h(H6,4,5,6,7,8,9);6*1H3,(H,3,4)
InChIKeyHUIOAUVNBWNIHF-UHFFFAOYSA-N
MW486.44 g/mol
LogP-0.84
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 19838954) has the molecular formula C15H30N6O12 and a molecular weight of 486.44 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 CID19838954
Molecular FormulaC15H30N6O12
Molecular Weight486.44 g/mol
Exact Mass486.19
IUPAC Nameacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.6C2H4O2/c4-1-7-2(5)9-3(6)8-1;6*1-2(3)4/h(H6,4,5,6,7,8,9);6*1H3,(H,3,4)
InChIKeyHUIOAUVNBWNIHF-UHFFFAOYSA-N
XLogP-0.84
TPSA340.53 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500486.44
LogP ≤ 5-0.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
Propanoic acid;1,3,5-triazine-2,4,6-triamine
CID 67793102
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 71348070
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 85726043
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
Propanoic acid;1,3,5-triazine-2,4,6-triamine
CID 160265804
Hexasodium;1,3,5-triazine-2,4,6-triamine;hexaacetate
CID 161342189
Azanium;1,3,5-triazine-2,4,6-triamine;acetate
CID 162300340
Sulfo acetate;1,3,5-triazine-2,4,6-triamine
CID 174450451
Acetic acid;[[4,6-bis(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 174674961

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 19838954) 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.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 HUIOAUVNBWNIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.6C2H4O2/c4-1-7-2(5)9-3(6)8-1;6*1-2(3)4/h(H6,4,5,6,7,8,9);6*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 486.44 g/mol, XLogP of -0.84, 0 rotatable bonds, 9 hydrogen bond donors, and 12 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 19838954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).