4-pyridin-4-yl-1,3,5-triazin-2-amine

C8H7N5 — CID 14977275

IUPAC4-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2ccncc2)n1
InChIInChI=1S/C8H7N5/c9-8-12-5-11-7(13-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11,12,13)
InChIKeyXDOWEJICGSZQCA-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.52
Rot. Bonds1

About 4-pyridin-4-yl-1,3,5-triazin-2-amine

4-pyridin-4-yl-1,3,5-triazin-2-amine (PubChem CID 14977275) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 4-pyridin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-1,3,5-triazin-2-amine
PubChem CID14977275
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name4-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESNc1ncnc(-c2ccncc2)n1
InChIInChI=1S/C8H7N5/c9-8-12-5-11-7(13-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11,12,13)
InChIKeyXDOWEJICGSZQCA-UHFFFAOYSA-N
XLogP0.52
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-pyridin-4-yl-1,3,5-triazin-2-amine (CID 14977275) is 4-pyridin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-pyridin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-pyridin-4-yl-1,3,5-triazin-2-amine is Nc1ncnc(-c2ccncc2)n1.
What is the InChIKey of 4-pyridin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is XDOWEJICGSZQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c9-8-12-5-11-7(13-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11,12,13).
What are the key properties of 4-pyridin-4-yl-1,3,5-triazin-2-amine?
4-pyridin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 173.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14977275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).