6-N-quinolin-6-ylpyridine-2,3,6-triamine

C14H13N5 — CID 79826455

IUPAC6-N-quinolin-6-ylpyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccc3ncccc3c2)nc1N
InChIInChI=1S/C14H13N5/c15-11-4-6-13(19-14(11)16)18-10-3-5-12-9(8-10)2-1-7-17-12/h1-8H,15H2,(H3,16,18,19)
InChIKeyMKPOYQKEMUHHLG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds2

About 6-N-quinolin-6-ylpyridine-2,3,6-triamine

6-N-quinolin-6-ylpyridine-2,3,6-triamine (PubChem CID 79826455) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-N-quinolin-6-ylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-quinolin-6-ylpyridine-2,3,6-triamine
PubChem CID79826455
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name6-N-quinolin-6-ylpyridine-2,3,6-triamine
SMILESNc1ccc(Nc2ccc3ncccc3c2)nc1N
InChIInChI=1S/C14H13N5/c15-11-4-6-13(19-14(11)16)18-10-3-5-12-9(8-10)2-1-7-17-12/h1-8H,15H2,(H3,16,18,19)
InChIKeyMKPOYQKEMUHHLG-UHFFFAOYSA-N
XLogP2.54
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-quinolin-6-ylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-quinolin-6-ylpyridine-2,3,6-triamine (CID 79826455) is 6-N-quinolin-6-ylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-quinolin-6-ylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-quinolin-6-ylpyridine-2,3,6-triamine is Nc1ccc(Nc2ccc3ncccc3c2)nc1N.
What is the InChIKey of 6-N-quinolin-6-ylpyridine-2,3,6-triamine?
The InChIKey is MKPOYQKEMUHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-11-4-6-13(19-14(11)16)18-10-3-5-12-9(8-10)2-1-7-17-12/h1-8H,15H2,(H3,16,18,19).
What are the key properties of 6-N-quinolin-6-ylpyridine-2,3,6-triamine?
6-N-quinolin-6-ylpyridine-2,3,6-triamine has a molecular weight of 251.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-quinolin-6-ylpyridine-2,3,6-triamine is sourced from PubChem (CID 79826455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).