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

C16H19N5 — CID 802045

IUPACN-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C16H19N5/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/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyWQZGWZDCCDBDIL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.33
Rot. Bonds2

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

N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 802045) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID802045
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C16H19N5/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/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyWQZGWZDCCDBDIL-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 ≤ 500281.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 802045) is N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1nnc2c(NC3CCCCC3)nc3ccccc3n12.
What is the InChIKey of N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is WQZGWZDCCDBDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/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/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 281.36 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 N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 802045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).