2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol

C19H20N4O3 — CID 73053899

IUPAC2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol
SMILESCOc1ccc(C2CCN(c3nncc(-c4ccc(C)o4)n3)C2)cc1O
InChIInChI=1S/C19H20N4O3/c1-12-3-5-17(26-12)15-10-20-22-19(21-15)23-8-7-14(11-23)13-4-6-18(25-2)16(24)9-13/h3-6,9-10,14,24H,7-8,11H2,1-2H3
InChIKeyNSTDQODDOHVJED-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.15
Rot. Bonds4

About 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol

2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol (PubChem CID 73053899) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol
PubChem CID73053899
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol
SMILESCOc1ccc(C2CCN(c3nncc(-c4ccc(C)o4)n3)C2)cc1O
InChIInChI=1S/C19H20N4O3/c1-12-3-5-17(26-12)15-10-20-22-19(21-15)23-8-7-14(11-23)13-4-6-18(25-2)16(24)9-13/h3-6,9-10,14,24H,7-8,11H2,1-2H3
InChIKeyNSTDQODDOHVJED-UHFFFAOYSA-N
XLogP3.15
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol (CID 73053899) is 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol is COc1ccc(C2CCN(c3nncc(-c4ccc(C)o4)n3)C2)cc1O.
What is the InChIKey of 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol?
The InChIKey is NSTDQODDOHVJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-3-5-17(26-12)15-10-20-22-19(21-15)23-8-7-14(11-23)13-4-6-18(25-2)16(24)9-13/h3-6,9-10,14,24H,7-8,11H2,1-2H3.
What are the key properties of 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol?
2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol has a molecular weight of 352.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]phenol is sourced from PubChem (CID 73053899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).