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

C7H16N6O3 — CID 175210382

IUPACacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.COC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2.C2H6O/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;1-3-2/h(H6,4,5,6,7,8,9);1H3,(H,3,4);1-2H3
InChIKeyMYWGNGPKSYSWBV-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.03
Rot. Bonds

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

acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine (PubChem CID 175210382) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
PubChem CID175210382
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Nameacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.COC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2.C2H6O/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;1-3-2/h(H6,4,5,6,7,8,9);1H3,(H,3,4);1-2H3
InChIKeyMYWGNGPKSYSWBV-UHFFFAOYSA-N
XLogP-1.03
TPSA163.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
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
2-Hydroxyacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 70523701
2-Methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 70523702
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
1,1-Dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 89428921
CID 157547635
CID 157547635
Ethenyl acetate;1,3,5-triazine-2,4,6-triamine
CID 158915690
Acetic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159069551

Frequently Asked Questions

What is the IUPAC name of acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine (CID 175210382) is acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine is CC(=O)O.COC.Nc1nc(N)nc(N)n1.
What is the InChIKey of acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is MYWGNGPKSYSWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2.C2H6O/c4-1-7-2(5)9-3(6)8-1;1-2(3)4;1-3-2/h(H6,4,5,6,7,8,9);1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine?
acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.24 g/mol, XLogP of -1.03, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 175210382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).