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

C14H11N5O — CID 1471646

IUPAC7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccnc3nc(-n4cccc4)nn23)o1
InChIInChI=1S/C14H11N5O/c1-10-4-5-12(20-10)11-6-7-15-13-16-14(17-19(11)13)18-8-2-3-9-18/h2-9H,1H3
InChIKeyHKXNBTTVDSJQGN-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.48
Rot. Bonds2

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

7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1471646) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1471646
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccnc3nc(-n4cccc4)nn23)o1
InChIInChI=1S/C14H11N5O/c1-10-4-5-12(20-10)11-6-7-15-13-16-14(17-19(11)13)18-8-2-3-9-18/h2-9H,1H3
InChIKeyHKXNBTTVDSJQGN-UHFFFAOYSA-N
XLogP2.48
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1471646) is 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(-c2ccnc3nc(-n4cccc4)nn23)o1.
What is the InChIKey of 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HKXNBTTVDSJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-10-4-5-12(20-10)11-6-7-15-13-16-14(17-19(11)13)18-8-2-3-9-18/h2-9H,1H3.
What are the key properties of 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 265.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylfuran-2-yl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1471646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).