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

C15H30N30 — CID 67883493

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.Nc1nc(N)nc(N)n1
InChIInChI=1S/5C3H6N6/c5*4-1-7-2(5)9-3(6)8-1/h5*(H6,4,5,6,7,8,9)
InChIKeyNHLZRJHNOXBALW-UHFFFAOYSA-N
MW630.62 g/mol
LogP-6.91
Rot. Bonds

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

1,3,5-triazine-2,4,6-triamine (PubChem CID 67883493) has the molecular formula C15H30N30 and a molecular weight of 630.62 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 CID67883493
Molecular FormulaC15H30N30
Molecular Weight630.62 g/mol
Exact Mass630.33
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.Nc1nc(N)nc(N)n1
InChIInChI=1S/5C3H6N6/c5*4-1-7-2(5)9-3(6)8-1/h5*(H6,4,5,6,7,8,9)
InChIKeyNHLZRJHNOXBALW-UHFFFAOYSA-N
XLogP-6.91
TPSA583.65 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.62
LogP ≤ 5-6.91
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

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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 67883493) 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.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine?
The InChIKey is NHLZRJHNOXBALW-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H6N6/c5*4-1-7-2(5)9-3(6)8-1/h5*(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 630.62 g/mol, XLogP of -6.91, 0 rotatable bonds, 15 hydrogen bond donors, and 30 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 67883493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).