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

C9H18N18 — CID 22011128

IUPAC1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1
InChIInChI=1S/3C3H6N6/c3*4-1-7-2(5)9-3(6)8-1/h3*(H6,4,5,6,7,8,9)
InChIKeyXHZOOYUNUYDKCO-UHFFFAOYSA-N
MW378.37 g/mol
LogP-4.15
Rot. Bonds

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

1,3,5-triazine-2,4,6-triamine (PubChem CID 22011128) has the molecular formula C9H18N18 and a molecular weight of 378.37 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 CID22011128
Molecular FormulaC9H18N18
Molecular Weight378.37 g/mol
Exact Mass378.20
IUPAC Name1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1
InChIInChI=1S/3C3H6N6/c3*4-1-7-2(5)9-3(6)8-1/h3*(H6,4,5,6,7,8,9)
InChIKeyXHZOOYUNUYDKCO-UHFFFAOYSA-N
XLogP-4.15
TPSA350.19 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500378.37
LogP ≤ 5-4.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

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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 22011128) 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.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine?
The InChIKey is XHZOOYUNUYDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6N6/c3*4-1-7-2(5)9-3(6)8-1/h3*(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 378.37 g/mol, XLogP of -4.15, 0 rotatable bonds, 9 hydrogen bond donors, and 18 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 22011128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).