formic acid;1,3,5-triazine

C4H5N3O2 — CID 158481269

IUPACformic acid;1,3,5-triazine
SMILESO=CO.c1ncncn1
InChIInChI=1S/C3H3N3.CH2O2/c1-4-2-6-3-5-1;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyHHNVLCHKZAUQJC-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.43
Rot. Bonds

About formic acid;1,3,5-triazine

formic acid;1,3,5-triazine (PubChem CID 158481269) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is formic acid;1,3,5-triazine.

Molecular Properties

Compound Nameformic acid;1,3,5-triazine
PubChem CID158481269
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Nameformic acid;1,3,5-triazine
SMILESO=CO.c1ncncn1
InChIInChI=1S/C3H3N3.CH2O2/c1-4-2-6-3-5-1;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyHHNVLCHKZAUQJC-UHFFFAOYSA-N
XLogP-0.43
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazin-2-yl formate
CID 57049490
Carbonic acid;1,3,5-triazine
CID 68533154
[4-(Dihydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanediol
CID 134358295
[4-(Hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
CID 134358301
Formic acid;1,3,5-triazine
CID 140401998
Methanol;1,3,5-triazine
CID 158960503
Carbonic acid;1,3,5-triazine
CID 159955056
Copper;hydroxymethanone;1,3,5-triazin-2-yloxymethanone
CID 175067781

Frequently Asked Questions

What is the IUPAC name of formic acid;1,3,5-triazine?
The IUPAC name of formic acid;1,3,5-triazine (CID 158481269) is formic acid;1,3,5-triazine.
What is the SMILES notation for formic acid;1,3,5-triazine?
The canonical SMILES for formic acid;1,3,5-triazine is O=CO.c1ncncn1.
What is the InChIKey of formic acid;1,3,5-triazine?
The InChIKey is HHNVLCHKZAUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.CH2O2/c1-4-2-6-3-5-1;2-1-3/h1-3H;1H,(H,2,3).
What are the key properties of formic acid;1,3,5-triazine?
formic acid;1,3,5-triazine has a molecular weight of 127.10 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,3,5-triazine is sourced from PubChem (CID 158481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).