1,3,5-triazine-2,4,6-triamine

C12H24N24 — CID 67592325

IUPAC1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1
InChIInChI=1S/4C3H6N6/c4*4-1-7-2(5)9-3(6)8-1/h4*(H6,4,5,6,7,8,9)
InChIKeyZJINNCMMSIKTEW-UHFFFAOYSA-N
MW504.49 g/mol
LogP-5.53
Rot. Bonds

About 1,3,5-triazine-2,4,6-triamine

1,3,5-triazine-2,4,6-triamine (PubChem CID 67592325) has the molecular formula C12H24N24 and a molecular weight of 504.49 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine
PubChem CID67592325
Molecular FormulaC12H24N24
Molecular Weight504.49 g/mol
Exact Mass504.26
IUPAC Name1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1
InChIInChI=1S/4C3H6N6/c4*4-1-7-2(5)9-3(6)8-1/h4*(H6,4,5,6,7,8,9)
InChIKeyZJINNCMMSIKTEW-UHFFFAOYSA-N
XLogP-5.53
TPSA466.92 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 5-5.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine (CID 67592325) is 1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZJINNCMMSIKTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H6N6/c4*4-1-7-2(5)9-3(6)8-1/h4*(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine?
1,3,5-triazine-2,4,6-triamine has a molecular weight of 504.49 g/mol, XLogP of -5.53, 0 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67592325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).