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

C6H14N8O3 — CID 159069551

IUPACacetic acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESCC(=O)O.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2.CH4N2O/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;2-1(3)4/h(H6,4,5,6,7,8,9);1H3,(H,3,4);(H4,2,3,4)
InChIKeyURUDLXXEMXVHRG-UHFFFAOYSA-N
MW246.23 g/mol
LogP-2.27
Rot. Bonds

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

acetic acid;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 159069551) has the molecular formula C6H14N8O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is acetic acid;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameacetic acid;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID159069551
Molecular FormulaC6H14N8O3
Molecular Weight246.23 g/mol
Exact Mass246.12
IUPAC Nameacetic acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESCC(=O)O.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2.CH4N2O/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;2-1(3)4/h(H6,4,5,6,7,8,9);1H3,(H,3,4);(H4,2,3,4)
InChIKeyURUDLXXEMXVHRG-UHFFFAOYSA-N
XLogP-2.27
TPSA223.14 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.23
LogP ≤ 5-2.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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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
2-Methylpropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 69776056
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
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 155068487
CID 157547635
CID 157547635
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
Azanium;1,3,5-triazine-2,4,6-triamine;acetate
CID 162300340
calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 173423869

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of acetic acid;1,3,5-triazine-2,4,6-triamine;urea (CID 159069551) is acetic acid;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for acetic acid;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for acetic acid;1,3,5-triazine-2,4,6-triamine;urea is CC(=O)O.NC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of acetic acid;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is URUDLXXEMXVHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2.CH4N2O/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;2-1(3)4/h(H6,4,5,6,7,8,9);1H3,(H,3,4);(H4,2,3,4).
What are the key properties of acetic acid;1,3,5-triazine-2,4,6-triamine;urea?
acetic acid;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 246.23 g/mol, XLogP of -2.27, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 159069551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).