4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline

C15H18N4O — CID 100969706

IUPAC4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCCc1nnc2c(OC(C)C)nc3ccccc3n12
InChIInChI=1S/C15H18N4O/c1-4-7-13-17-18-14-15(20-10(2)3)16-11-8-5-6-9-12(11)19(13)14/h5-6,8-10H,4,7H2,1-3H3
InChIKeyNQJJZNSINNYUNQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.02
Rot. Bonds4

About 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 100969706) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID100969706
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCCc1nnc2c(OC(C)C)nc3ccccc3n12
InChIInChI=1S/C15H18N4O/c1-4-7-13-17-18-14-15(20-10(2)3)16-11-8-5-6-9-12(11)19(13)14/h5-6,8-10H,4,7H2,1-3H3
InChIKeyNQJJZNSINNYUNQ-UHFFFAOYSA-N
XLogP3.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propan-2-yloxyquinoxalin-2-one
CID 162372195
3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
CID 70081241
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]furan-2-carboxamide
CID 53031979
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22432522
2-methyl-3-propan-2-yloxyquinoxaline
CID 1365294
N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061615

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 100969706) is 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline is CCCc1nnc2c(OC(C)C)nc3ccccc3n12.
What is the InChIKey of 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is NQJJZNSINNYUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-7-13-17-18-14-15(20-10(2)3)16-11-8-5-6-9-12(11)19(13)14/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 270.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 100969706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).