N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide

C17H18N6O3 — CID 155281389

IUPACN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)c3cn[nH]n3)nc12
InChIInChI=1S/C17H18N6O3/c1-25-13-3-2-11(10-4-6-26-7-5-10)15-16(13)20-14(9-18-15)21-17(24)12-8-19-23-22-12/h2-3,8-10H,4-7H2,1H3,(H,19,22,23)(H,20,21,24)
InChIKeyYWDHWAOTWNOQGC-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.90
Rot. Bonds4

About N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide

N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide (PubChem CID 155281389) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide
PubChem CID155281389
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)c3cn[nH]n3)nc12
InChIInChI=1S/C17H18N6O3/c1-25-13-3-2-11(10-4-6-26-7-5-10)15-16(13)20-14(9-18-15)21-17(24)12-8-19-23-22-12/h2-3,8-10H,4-7H2,1H3,(H,19,22,23)(H,20,21,24)
InChIKeyYWDHWAOTWNOQGC-UHFFFAOYSA-N
XLogP1.90
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide (CID 155281389) is N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide is COc1ccc(C2CCOCC2)c2ncc(NC(=O)c3cn[nH]n3)nc12.
What is the InChIKey of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is YWDHWAOTWNOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-13-3-2-11(10-4-6-26-7-5-10)15-16(13)20-14(9-18-15)21-17(24)12-8-19-23-22-12/h2-3,8-10H,4-7H2,1H3,(H,19,22,23)(H,20,21,24).
What are the key properties of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 155281389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).