1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C14H17N5 — CID 13385716

IUPAC1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC(C)C)nc3ccccc3n12
InChIInChI=1S/C14H17N5/c1-4-12-17-18-14-13(15-9(2)3)16-10-7-5-6-8-11(10)19(12)14/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyPZAYUXVLYKQPMH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.66
Rot. Bonds3

About 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385716) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385716
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC(C)C)nc3ccccc3n12
InChIInChI=1S/C14H17N5/c1-4-12-17-18-14-13(15-9(2)3)16-10-7-5-6-8-11(10)19(12)14/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyPZAYUXVLYKQPMH-UHFFFAOYSA-N
XLogP2.66
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385716) is 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(NC(C)C)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is PZAYUXVLYKQPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-4-12-17-18-14-13(15-9(2)3)16-10-7-5-6-8-11(10)19(12)14/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).