6-N-pyridin-4-ylpyridine-2,3,6-triamine

C10H11N5 — CID 157043315

IUPAC6-N-pyridin-4-ylpyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccncc2)nc1N
InChIInChI=1S/C10H11N5/c11-8-1-2-9(15-10(8)12)14-7-3-5-13-6-4-7/h1-6H,11H2,(H3,12,13,14,15)
InChIKeyKELCWWYOFGAQOU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.38
Rot. Bonds2

About 6-N-pyridin-4-ylpyridine-2,3,6-triamine

6-N-pyridin-4-ylpyridine-2,3,6-triamine (PubChem CID 157043315) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-N-pyridin-4-ylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-pyridin-4-ylpyridine-2,3,6-triamine
PubChem CID157043315
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name6-N-pyridin-4-ylpyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccncc2)nc1N
InChIInChI=1S/C10H11N5/c11-8-1-2-9(15-10(8)12)14-7-3-5-13-6-4-7/h1-6H,11H2,(H3,12,13,14,15)
InChIKeyKELCWWYOFGAQOU-UHFFFAOYSA-N
XLogP1.38
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-pyridin-4-ylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-pyridin-4-ylpyridine-2,3,6-triamine (CID 157043315) is 6-N-pyridin-4-ylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-pyridin-4-ylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-pyridin-4-ylpyridine-2,3,6-triamine is Nc1ccc(Nc2ccncc2)nc1N.
What is the InChIKey of 6-N-pyridin-4-ylpyridine-2,3,6-triamine?
The InChIKey is KELCWWYOFGAQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-8-1-2-9(15-10(8)12)14-7-3-5-13-6-4-7/h1-6H,11H2,(H3,12,13,14,15).
What are the key properties of 6-N-pyridin-4-ylpyridine-2,3,6-triamine?
6-N-pyridin-4-ylpyridine-2,3,6-triamine has a molecular weight of 201.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-pyridin-4-ylpyridine-2,3,6-triamine is sourced from PubChem (CID 157043315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).