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

C13H15N5 — CID 661534

IUPAC1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NC(C)C)nc3ccccc3n12
InChIInChI=1S/C13H15N5/c1-8(2)14-12-13-17-16-9(3)18(13)11-7-5-4-6-10(11)15-12/h4-8H,1-3H3,(H,14,15)
InChIKeyZJNUTAGVLKRYRI-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.41
Rot. Bonds2

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

1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 661534) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID661534
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1nnc2c(NC(C)C)nc3ccccc3n12
InChIInChI=1S/C13H15N5/c1-8(2)14-12-13-17-16-9(3)18(13)11-7-5-4-6-10(11)15-12/h4-8H,1-3H3,(H,14,15)
InChIKeyZJNUTAGVLKRYRI-UHFFFAOYSA-N
XLogP2.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 661534) is 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1nnc2c(NC(C)C)nc3ccccc3n12.
What is the InChIKey of 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ZJNUTAGVLKRYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-8(2)14-12-13-17-16-9(3)18(13)11-7-5-4-6-10(11)15-12/h4-8H,1-3H3,(H,14,15).
What are the key properties of 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 241.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).