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

C5H12N6O — CID 20569183

IUPACformaldehyde;methane;1,3,5-triazine-2,4,6-triamine
SMILESC.C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH2O.CH4/c4-1-7-2(5)9-3(6)8-1;1-2;/h(H6,4,5,6,7,8,9);1H2;1H4
InChIKeyGZRYUBRUWWZBOG-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.93
Rot. Bonds

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

formaldehyde;methane;1,3,5-triazine-2,4,6-triamine (PubChem CID 20569183) has the molecular formula C5H12N6O and a molecular weight of 172.19 g/mol. Its IUPAC name is formaldehyde;methane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;methane;1,3,5-triazine-2,4,6-triamine
PubChem CID20569183
Molecular FormulaC5H12N6O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC Nameformaldehyde;methane;1,3,5-triazine-2,4,6-triamine
SMILESC.C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH2O.CH4/c4-1-7-2(5)9-3(6)8-1;1-2;/h(H6,4,5,6,7,8,9);1H2;1H4
InChIKeyGZRYUBRUWWZBOG-UHFFFAOYSA-N
XLogP-0.93
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;methane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;methane;1,3,5-triazine-2,4,6-triamine (CID 20569183) is formaldehyde;methane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;methane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;methane;1,3,5-triazine-2,4,6-triamine is C.C=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;methane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is GZRYUBRUWWZBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH2O.CH4/c4-1-7-2(5)9-3(6)8-1;1-2;/h(H6,4,5,6,7,8,9);1H2;1H4.
What are the key properties of formaldehyde;methane;1,3,5-triazine-2,4,6-triamine?
formaldehyde;methane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 172.19 g/mol, XLogP of -0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20569183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).