N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C18H17N5O — CID 6619246

IUPACN-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1cccc(CNc2nc3ccc(C)cc3n3cnnc23)c1
InChIInChI=1S/C18H17N5O/c1-12-6-7-15-16(8-12)23-11-20-22-18(23)17(21-15)19-10-13-4-3-5-14(9-13)24-2/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyRNHKHQNDTWHPDG-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.21
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 6619246) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID6619246
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1cccc(CNc2nc3ccc(C)cc3n3cnnc23)c1
InChIInChI=1S/C18H17N5O/c1-12-6-7-15-16(8-12)23-11-20-22-18(23)17(21-15)19-10-13-4-3-5-14(9-13)24-2/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyRNHKHQNDTWHPDG-UHFFFAOYSA-N
XLogP3.21
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 6619246) is N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COc1cccc(CNc2nc3ccc(C)cc3n3cnnc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is RNHKHQNDTWHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-6-7-15-16(8-12)23-11-20-22-18(23)17(21-15)19-10-13-4-3-5-14(9-13)24-2/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 6619246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).