1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C16H13N5 — CID 45106063

IUPAC1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(Nc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C16H13N5/c1-11-19-20-16-15(17-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)21(11)16/h2-10H,1H3,(H,17,18)
InChIKeyJXCMUGOJPYZEEN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.33
Rot. Bonds2

About 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 45106063) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID45106063
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(Nc3ccccc3)nc3ccccc3n12
InChIInChI=1S/C16H13N5/c1-11-19-20-16-15(17-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)21(11)16/h2-10H,1H3,(H,17,18)
InChIKeyJXCMUGOJPYZEEN-UHFFFAOYSA-N
XLogP3.33
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 45106063) is 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1nnc2c(Nc3ccccc3)nc3ccccc3n12.
What is the InChIKey of 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is JXCMUGOJPYZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11-19-20-16-15(17-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)21(11)16/h2-10H,1H3,(H,17,18).
What are the key properties of 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 45106063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).