2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine

C9H10N6 — CID 156775753

IUPAC2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine
SMILESNc1cc(N)c(-c2ncncn2)c(N)c1
InChIInChI=1S/C9H10N6/c10-5-1-6(11)8(7(12)2-5)9-14-3-13-4-15-9/h1-4H,10-12H2
InChIKeyOZPAQAKNOCIZEH-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.29
Rot. Bonds1

About 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine

2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine (PubChem CID 156775753) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine
PubChem CID156775753
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine
SMILESNc1cc(N)c(-c2ncncn2)c(N)c1
InChIInChI=1S/C9H10N6/c10-5-1-6(11)8(7(12)2-5)9-14-3-13-4-15-9/h1-4H,10-12H2
InChIKeyOZPAQAKNOCIZEH-UHFFFAOYSA-N
XLogP0.29
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine?
The IUPAC name of 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine (CID 156775753) is 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine.
What is the SMILES notation for 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine?
The canonical SMILES for 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine is Nc1cc(N)c(-c2ncncn2)c(N)c1.
What is the InChIKey of 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine?
The InChIKey is OZPAQAKNOCIZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-5-1-6(11)8(7(12)2-5)9-14-3-13-4-15-9/h1-4H,10-12H2.
What are the key properties of 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine?
2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine has a molecular weight of 202.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine is sourced from PubChem (CID 156775753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).