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

C5H13N7O2 — CID 174848447

IUPACacetic acid;azane;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.N.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2.H3N/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);1H3
InChIKeyFTUMCVCLCYGJLD-UHFFFAOYSA-N
MW203.21 g/mol
LogP-1.13
Rot. Bonds

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

acetic acid;azane;1,3,5-triazine-2,4,6-triamine (PubChem CID 174848447) has the molecular formula C5H13N7O2 and a molecular weight of 203.21 g/mol. Its IUPAC name is acetic acid;azane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameacetic acid;azane;1,3,5-triazine-2,4,6-triamine
PubChem CID174848447
Molecular FormulaC5H13N7O2
Molecular Weight203.21 g/mol
Exact Mass203.11
IUPAC Nameacetic acid;azane;1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.N.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2.H3N/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);1H3
InChIKeyFTUMCVCLCYGJLD-UHFFFAOYSA-N
XLogP-1.13
TPSA189.03 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze acetic acid;azane;1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
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

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of acetic acid;azane;1,3,5-triazine-2,4,6-triamine (CID 174848447) is acetic acid;azane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for acetic acid;azane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for acetic acid;azane;1,3,5-triazine-2,4,6-triamine is CC(=O)O.N.Nc1nc(N)nc(N)n1.
What is the InChIKey of acetic acid;azane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is FTUMCVCLCYGJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2.H3N/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);1H3.
What are the key properties of acetic acid;azane;1,3,5-triazine-2,4,6-triamine?
acetic acid;azane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 203.21 g/mol, XLogP of -1.13, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174848447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).