carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine

C5H10N6O4 — CID 159122279

IUPACcarbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESC=O.Nc1nc(N)nc(N)n1.O=C(O)O
InChIInChI=1S/C3H6N6.CH2O3.CH2O/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H2,2,3,4);1H2
InChIKeyKFVOLUGJFBHXLF-UHFFFAOYSA-N
MW218.17 g/mol
LogP-1.34
Rot. Bonds

About carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine

carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine (PubChem CID 159122279) has the molecular formula C5H10N6O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecarbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine
PubChem CID159122279
Molecular FormulaC5H10N6O4
Molecular Weight218.17 g/mol
Exact Mass218.08
IUPAC Namecarbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESC=O.Nc1nc(N)nc(N)n1.O=C(O)O
InChIInChI=1S/C3H6N6.CH2O3.CH2O/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H2,2,3,4);1H2
InChIKeyKFVOLUGJFBHXLF-UHFFFAOYSA-N
XLogP-1.34
TPSA191.33 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine (CID 159122279) is carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine is C=O.Nc1nc(N)nc(N)n1.O=C(O)O.
What is the InChIKey of carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KFVOLUGJFBHXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH2O3.CH2O/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H2,2,3,4);1H2.
What are the key properties of carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine?
carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine has a molecular weight of 218.17 g/mol, XLogP of -1.34, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;formaldehyde;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159122279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).