1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol

C14H17N5O — CID 14280619

IUPAC1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol
SMILESCCc1nnc2c(NCC(C)O)nc3ccccc3n12
InChIInChI=1S/C14H17N5O/c1-3-12-17-18-14-13(15-8-9(2)20)16-10-6-4-5-7-11(10)19(12)14/h4-7,9,20H,3,8H2,1-2H3,(H,15,16)
InChIKeySXEXFKOELOXMKF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.63
Rot. Bonds4

About 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol

1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol (PubChem CID 14280619) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol
PubChem CID14280619
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol
SMILESCCc1nnc2c(NCC(C)O)nc3ccccc3n12
InChIInChI=1S/C14H17N5O/c1-3-12-17-18-14-13(15-8-9(2)20)16-10-6-4-5-7-11(10)19(12)14/h4-7,9,20H,3,8H2,1-2H3,(H,15,16)
InChIKeySXEXFKOELOXMKF-UHFFFAOYSA-N
XLogP1.63
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol (CID 14280619) is 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol is CCc1nnc2c(NCC(C)O)nc3ccccc3n12.
What is the InChIKey of 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol?
The InChIKey is SXEXFKOELOXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-12-17-18-14-13(15-8-9(2)20)16-10-6-4-5-7-11(10)19(12)14/h4-7,9,20H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol?
1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol has a molecular weight of 271.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 14280619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).