5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine

C12H8N4O — CID 102183781

IUPAC5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2nncc(-c3ccco3)n2)nc1
InChIInChI=1S/C12H8N4O/c1-2-6-13-9(4-1)12-15-10(8-14-16-12)11-5-3-7-17-11/h1-8H
InChIKeyLHVUYIZJKULRIA-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.19
Rot. Bonds2

About 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine

5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine (PubChem CID 102183781) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine
PubChem CID102183781
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2nncc(-c3ccco3)n2)nc1
InChIInChI=1S/C12H8N4O/c1-2-6-13-9(4-1)12-15-10(8-14-16-12)11-5-3-7-17-11/h1-8H
InChIKeyLHVUYIZJKULRIA-UHFFFAOYSA-N
XLogP2.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine?
The IUPAC name of 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine (CID 102183781) is 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine?
The canonical SMILES for 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine is c1ccc(-c2nncc(-c3ccco3)n2)nc1.
What is the InChIKey of 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine?
The InChIKey is LHVUYIZJKULRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-2-6-13-9(4-1)12-15-10(8-14-16-12)11-5-3-7-17-11/h1-8H.
What are the key properties of 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine?
5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine has a molecular weight of 224.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-pyridin-2-yl-1,2,4-triazine is sourced from PubChem (CID 102183781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).