formaldehyde;1,3,5-triazine

C4H5N3O — CID 19901968

IUPACformaldehyde;1,3,5-triazine
SMILESC=O.c1ncncn1
InChIInChI=1S/C3H3N3.CH2O/c1-4-2-6-3-5-1;1-2/h1-3H;1H2
InChIKeyKJOGJQBSOCGHII-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.31
Rot. Bonds

About formaldehyde;1,3,5-triazine

formaldehyde;1,3,5-triazine (PubChem CID 19901968) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is formaldehyde;1,3,5-triazine.

Molecular Properties

Compound Nameformaldehyde;1,3,5-triazine
PubChem CID19901968
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Nameformaldehyde;1,3,5-triazine
SMILESC=O.c1ncncn1
InChIInChI=1S/C3H3N3.CH2O/c1-4-2-6-3-5-1;1-2/h1-3H;1H2
InChIKeyKJOGJQBSOCGHII-UHFFFAOYSA-N
XLogP-0.31
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxy-1,3,5-triazine
CID 243963
2-Methoxy-1,3,5-triazine
CID 28657
Water s-triazine
CID 21798619
Chloromethoxy-s-triazine
CID 53854570
2-Fluoro-4-methoxy-1,3,5-triazine
CID 17959652
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
1,3,5-Triazin-2-yl hypofluorite
CID 56974357
2-Chloro-4-methoxy-1,3,5-triazine
CID 17959654
Formaldehyde;1,3,5-triazin-2-amine
CID 18544388
1-Methoxy-1,3,5-triazin-1-ium
CID 18724765
2-Isocyanato-1,3,5-triazine
CID 19694713
2,4-Diisocyanato-1,3,5-triazine
CID 22062442

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,3,5-triazine?
The IUPAC name of formaldehyde;1,3,5-triazine (CID 19901968) is formaldehyde;1,3,5-triazine.
What is the SMILES notation for formaldehyde;1,3,5-triazine?
The canonical SMILES for formaldehyde;1,3,5-triazine is C=O.c1ncncn1.
What is the InChIKey of formaldehyde;1,3,5-triazine?
The InChIKey is KJOGJQBSOCGHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.CH2O/c1-4-2-6-3-5-1;1-2/h1-3H;1H2.
What are the key properties of formaldehyde;1,3,5-triazine?
formaldehyde;1,3,5-triazine has a molecular weight of 111.10 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,3,5-triazine is sourced from PubChem (CID 19901968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).