7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C9H6N4O — CID 1476956

IUPAC7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1coc(-c2ccnc3ncnn23)c1
InChIInChI=1S/C9H6N4O/c1-2-8(14-5-1)7-3-4-10-9-11-6-12-13(7)9/h1-6H
InChIKeyULVULLUWKSHJFU-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.38
Rot. Bonds1

About 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1476956) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1476956
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1coc(-c2ccnc3ncnn23)c1
InChIInChI=1S/C9H6N4O/c1-2-8(14-5-1)7-3-4-10-9-11-6-12-13(7)9/h1-6H
InChIKeyULVULLUWKSHJFU-UHFFFAOYSA-N
XLogP1.38
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1476956) is 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is c1coc(-c2ccnc3ncnn23)c1.
What is the InChIKey of 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ULVULLUWKSHJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c1-2-8(14-5-1)7-3-4-10-9-11-6-12-13(7)9/h1-6H.
What are the key properties of 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 186.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1476956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).