[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone

C20H18N6O2 — CID 11372234

IUPAC[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(-c2cccc(C(=O)N3CCCC3)c2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C20H18N6O2/c21-17-19-23-18(16-7-4-10-28-16)24-26(19)12-15(22-17)13-5-3-6-14(11-13)20(27)25-8-1-2-9-25/h3-7,10-12H,1-2,8-9H2,(H2,21,22)
InChIKeyMZCZGKYOAWHGAZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.87
Rot. Bonds3

About [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone

[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 11372234) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID11372234
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(-c2cccc(C(=O)N3CCCC3)c2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C20H18N6O2/c21-17-19-23-18(16-7-4-10-28-16)24-26(19)12-15(22-17)13-5-3-6-14(11-13)20(27)25-8-1-2-9-25/h3-7,10-12H,1-2,8-9H2,(H2,21,22)
InChIKeyMZCZGKYOAWHGAZ-UHFFFAOYSA-N
XLogP2.87
TPSA102.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 11372234) is [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone is Nc1nc(-c2cccc(C(=O)N3CCCC3)c2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MZCZGKYOAWHGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-17-19-23-18(16-7-4-10-28-16)24-26(19)12-15(22-17)13-5-3-6-14(11-13)20(27)25-8-1-2-9-25/h3-7,10-12H,1-2,8-9H2,(H2,21,22).
What are the key properties of [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).