4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine

C9H9ClN4O — CID 163278334

IUPAC4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine
SMILESC=CCCOc1nc(Cl)nn2ccnc12
InChIInChI=1S/C9H9ClN4O/c1-2-3-6-15-8-7-11-4-5-14(7)13-9(10)12-8/h2,4-5H,1,3,6H2
InChIKeyRVGCDQVQJOZFJP-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.73
Rot. Bonds4

About 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine

4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine (PubChem CID 163278334) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine
PubChem CID163278334
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine
SMILESC=CCCOc1nc(Cl)nn2ccnc12
InChIInChI=1S/C9H9ClN4O/c1-2-3-6-15-8-7-11-4-5-14(7)13-9(10)12-8/h2,4-5H,1,3,6H2
InChIKeyRVGCDQVQJOZFJP-UHFFFAOYSA-N
XLogP1.73
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
CID 79956193
8-(but-3-enoxymethyl)-6-chloroimidazo[1,2-a]pyrazine
CID 163278827
2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 55124288
2-chloro-N,N-dipropylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 164738990
6-but-3-enoxy-3,5-dichloropyridin-2-amine
CID 102760392
4-(3-but-3-enoxyphenyl)-2-chloropyrimidine
CID 53363591
4-but-3-enoxy-6-chloro-5-methylpyrimidine
CID 63735872
1-but-3-enyl-2-chloroimidazole
CID 141459444
(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278222
1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
CID 163278078
1-[[5-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-6-methoxy-3-pyridinyl]methyl]-3-[(4S)-7,7-difluorooct-1-en-4-yl]-1-ethylurea
CID 163278741
2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 178019492

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine (CID 163278334) is 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine is C=CCCOc1nc(Cl)nn2ccnc12.
What is the InChIKey of 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine?
The InChIKey is RVGCDQVQJOZFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-2-3-6-15-8-7-11-4-5-14(7)13-9(10)12-8/h2,4-5H,1,3,6H2.
What are the key properties of 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine?
4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine has a molecular weight of 224.65 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163278334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).