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

C10H14N6O2 — CID 21285052

IUPACformaldehyde;phenol;1,3,5-triazine-2,4,6-triamine
SMILESC=O.Nc1nc(N)nc(N)n1.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H6N6.CH2O/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;1-2/h1-5,7H;(H6,4,5,6,7,8,9);1H2
InChIKeyCGXBXJAUUWZZOP-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.17
Rot. Bonds

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

formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine (PubChem CID 21285052) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;phenol;1,3,5-triazine-2,4,6-triamine
PubChem CID21285052
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Nameformaldehyde;phenol;1,3,5-triazine-2,4,6-triamine
SMILESC=O.Nc1nc(N)nc(N)n1.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H6N6.CH2O/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;1-2/h1-5,7H;(H6,4,5,6,7,8,9);1H2
InChIKeyCGXBXJAUUWZZOP-UHFFFAOYSA-N
XLogP-0.17
TPSA154.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine (CID 21285052) is formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine is C=O.Nc1nc(N)nc(N)n1.Oc1ccccc1.
What is the InChIKey of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is CGXBXJAUUWZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H6N6.CH2O/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;1-2/h1-5,7H;(H6,4,5,6,7,8,9);1H2.
What are the key properties of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine?
formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 250.26 g/mol, XLogP of -0.17, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21285052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).