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

C14H15N5 — CID 6622922

IUPACN-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESc1ccc2c(c1)nc(NC1CCCC1)c1nncn12
InChIInChI=1S/C14H15N5/c1-2-6-10(5-1)16-13-14-18-15-9-19(14)12-8-4-3-7-11(12)17-13/h3-4,7-10H,1-2,5-6H2,(H,16,17)
InChIKeyUMMIVJNDWVJZNK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.63
Rot. Bonds2

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

N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 6622922) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID6622922
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESc1ccc2c(c1)nc(NC1CCCC1)c1nncn12
InChIInChI=1S/C14H15N5/c1-2-6-10(5-1)16-13-14-18-15-9-19(14)12-8-4-3-7-11(12)17-13/h3-4,7-10H,1-2,5-6H2,(H,16,17)
InChIKeyUMMIVJNDWVJZNK-UHFFFAOYSA-N
XLogP2.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 6622922) is N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is c1ccc2c(c1)nc(NC1CCCC1)c1nncn12.
What is the InChIKey of N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is UMMIVJNDWVJZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-6-10(5-1)16-13-14-18-15-9-19(14)12-8-4-3-7-11(12)17-13/h3-4,7-10H,1-2,5-6H2,(H,16,17).
What are the key properties of N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 6622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).