formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine

C11H15N5O2 — CID 170853019

IUPACformaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine
SMILESC=O.CO.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH4O.CH2O/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2*1-2/h1-5H,(H4,10,11,12,13,14);2H,1H3;1H2
InChIKeyRTEDYGYFZJKWQD-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.13
Rot. Bonds1

About formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine

formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 170853019) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameformaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID170853019
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Nameformaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine
SMILESC=O.CO.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH4O.CH2O/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2*1-2/h1-5H,(H4,10,11,12,13,14);2H,1H3;1H2
InChIKeyRTEDYGYFZJKWQD-UHFFFAOYSA-N
XLogP0.13
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine (CID 170853019) is formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine is C=O.CO.Nc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RTEDYGYFZJKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5.CH4O.CH2O/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2*1-2/h1-5H,(H4,10,11,12,13,14);2H,1H3;1H2.
What are the key properties of formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine?
formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 249.27 g/mol, XLogP of 0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanol;6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 170853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).