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

C20H18N6O3 — CID 11361290

IUPAC[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(-c2cccc(C(=O)N3CCOCC3)c2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C20H18N6O3/c21-17-19-23-18(16-5-2-8-29-16)24-26(19)12-15(22-17)13-3-1-4-14(11-13)20(27)25-6-9-28-10-7-25/h1-5,8,11-12H,6-7,9-10H2,(H2,21,22)
InChIKeyBEPHPGXXHVMSCM-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.11
Rot. Bonds3

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

[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 11361290) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID11361290
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(-c2cccc(C(=O)N3CCOCC3)c2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C20H18N6O3/c21-17-19-23-18(16-5-2-8-29-16)24-26(19)12-15(22-17)13-3-1-4-14(11-13)20(27)25-6-9-28-10-7-25/h1-5,8,11-12H,6-7,9-10H2,(H2,21,22)
InChIKeyBEPHPGXXHVMSCM-UHFFFAOYSA-N
XLogP2.11
TPSA111.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-morpholin-4-ylmethanone?
The IUPAC name of [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 11361290) is [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-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]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone is Nc1nc(-c2cccc(C(=O)N3CCOCC3)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]-morpholin-4-ylmethanone?
The InChIKey is BEPHPGXXHVMSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c21-17-19-23-18(16-5-2-8-29-16)24-26(19)12-15(22-17)13-3-1-4-14(11-13)20(27)25-6-9-28-10-7-25/h1-5,8,11-12H,6-7,9-10H2,(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]-morpholin-4-ylmethanone?
[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 390.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 11361290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).