2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine

C10H10ClN5O — CID 55124288

IUPAC2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESC=CCCOc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H10ClN5O/c1-2-3-6-17-10-14-8(11)13-9(15-10)16-5-4-12-7-16/h2,4-5,7H,1,3,6H2
InChIKeyVMPPZCLMGOJECK-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.67
Rot. Bonds5

About 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine

2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 55124288) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine
PubChem CID55124288
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESC=CCCOc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H10ClN5O/c1-2-3-6-17-10-14-8(11)13-9(15-10)16-5-4-12-7-16/h2,4-5,7H,1,3,6H2
InChIKeyVMPPZCLMGOJECK-UHFFFAOYSA-N
XLogP1.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-chloro-4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 104561424
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
2-chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919
2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine
CID 64730658
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868280
2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62869973
2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
CID 62870863
2-(3-bromo-5-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 81314461
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine (CID 55124288) is 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine is C=CCCOc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is VMPPZCLMGOJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-2-3-6-17-10-14-8(11)13-9(15-10)16-5-4-12-7-16/h2,4-5,7H,1,3,6H2.
What are the key properties of 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 251.68 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 55124288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).