4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide

C19H18N6O2 — CID 69460896

IUPAC4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)cc1
InChIInChI=1S/C19H18N6O2/c1-11(2)21-19(26)13-7-5-12(6-8-13)14-10-25-18(16(20)22-14)23-17(24-25)15-4-3-9-27-15/h3-11H,1-2H3,(H2,20,22)(H,21,26)
InChIKeyKALPECWGYZCDMR-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.77
Rot. Bonds4

About 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide

4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide (PubChem CID 69460896) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide
PubChem CID69460896
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)cc1
InChIInChI=1S/C19H18N6O2/c1-11(2)21-19(26)13-7-5-12(6-8-13)14-10-25-18(16(20)22-14)23-17(24-25)15-4-3-9-27-15/h3-11H,1-2H3,(H2,20,22)(H,21,26)
InChIKeyKALPECWGYZCDMR-UHFFFAOYSA-N
XLogP2.77
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide (CID 69460896) is 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)cc1.
What is the InChIKey of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide?
The InChIKey is KALPECWGYZCDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-11(2)21-19(26)13-7-5-12(6-8-13)14-10-25-18(16(20)22-14)23-17(24-25)15-4-3-9-27-15/h3-11H,1-2H3,(H2,20,22)(H,21,26).
What are the key properties of 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide?
4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide has a molecular weight of 362.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 69460896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).