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

C16H21N5 — CID 802075

IUPAC1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCCN(CCC)c1nc2ccccc2n2c(C)nnc12
InChIInChI=1S/C16H21N5/c1-4-10-20(11-5-2)15-16-19-18-12(3)21(16)14-9-7-6-8-13(14)17-15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWIOYPCJBJJRBFS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.21
Rot. Bonds5

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

1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 802075) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID802075
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCCN(CCC)c1nc2ccccc2n2c(C)nnc12
InChIInChI=1S/C16H21N5/c1-4-10-20(11-5-2)15-16-19-18-12(3)21(16)14-9-7-6-8-13(14)17-15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWIOYPCJBJJRBFS-UHFFFAOYSA-N
XLogP3.21
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 802075) is 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCCN(CCC)c1nc2ccccc2n2c(C)nnc12.
What is the InChIKey of 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is WIOYPCJBJJRBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-10-20(11-5-2)15-16-19-18-12(3)21(16)14-9-7-6-8-13(14)17-15/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 802075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).