5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine

C18H18N4O — CID 73058268

IUPAC5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine
SMILESCc1ccc(-c2cnnc(N3CCC(c4ccccc4)C3)n2)o1
InChIInChI=1S/C18H18N4O/c1-13-7-8-17(23-13)16-11-19-21-18(20-16)22-10-9-15(12-22)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyCPUFSEDHNXHMAO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.43
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine

5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine (PubChem CID 73058268) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine
PubChem CID73058268
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine
SMILESCc1ccc(-c2cnnc(N3CCC(c4ccccc4)C3)n2)o1
InChIInChI=1S/C18H18N4O/c1-13-7-8-17(23-13)16-11-19-21-18(20-16)22-10-9-15(12-22)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyCPUFSEDHNXHMAO-UHFFFAOYSA-N
XLogP3.43
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine (CID 73058268) is 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine is Cc1ccc(-c2cnnc(N3CCC(c4ccccc4)C3)n2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine?
The InChIKey is CPUFSEDHNXHMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-8-17(23-13)16-11-19-21-18(20-16)22-10-9-15(12-22)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine?
5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine has a molecular weight of 306.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-3-(3-phenylpyrrolidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 73058268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).