2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine

C13H11N7 — CID 170562506

IUPAC2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine
SMILESNc1c(-c2ccnnn2)cnc(-c2ccccn2)c1N
InChIInChI=1S/C13H11N7/c14-11-8(9-4-6-18-20-19-9)7-17-13(12(11)15)10-3-1-2-5-16-10/h1-7H,15H2,(H2,14,17)
InChIKeyWJGMLOOPFZRZDU-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.16
Rot. Bonds2

About 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine

2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine (PubChem CID 170562506) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine
PubChem CID170562506
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine
SMILESNc1c(-c2ccnnn2)cnc(-c2ccccn2)c1N
InChIInChI=1S/C13H11N7/c14-11-8(9-4-6-18-20-19-9)7-17-13(12(11)15)10-3-1-2-5-16-10/h1-7H,15H2,(H2,14,17)
InChIKeyWJGMLOOPFZRZDU-UHFFFAOYSA-N
XLogP1.16
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine?
The IUPAC name of 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine (CID 170562506) is 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine.
What is the SMILES notation for 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine?
The canonical SMILES for 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine is Nc1c(-c2ccnnn2)cnc(-c2ccccn2)c1N.
What is the InChIKey of 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine?
The InChIKey is WJGMLOOPFZRZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c14-11-8(9-4-6-18-20-19-9)7-17-13(12(11)15)10-3-1-2-5-16-10/h1-7H,15H2,(H2,14,17).
What are the key properties of 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine?
2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine has a molecular weight of 265.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-(triazin-4-yl)pyridine-3,4-diamine is sourced from PubChem (CID 170562506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).