2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate

C16H15FN6O3 — CID 174685773

IUPAC2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate
SMILESCn1nnc(-c2ccc(F)cn2)c1COc1ccc(CCOC=O)nn1
InChIInChI=1S/C16H15FN6O3/c1-23-14(16(21-22-23)13-4-2-11(17)8-18-13)9-26-15-5-3-12(19-20-15)6-7-25-10-24/h2-5,8,10H,6-7,9H2,1H3
InChIKeyJRPPKECEAXCYLA-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.10
Rot. Bonds8

About 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate

2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate (PubChem CID 174685773) has the molecular formula C16H15FN6O3 and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate.

Molecular Properties

Compound Name2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate
PubChem CID174685773
Molecular FormulaC16H15FN6O3
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate
SMILESCn1nnc(-c2ccc(F)cn2)c1COc1ccc(CCOC=O)nn1
InChIInChI=1S/C16H15FN6O3/c1-23-14(16(21-22-23)13-4-2-11(17)8-18-13)9-26-15-5-3-12(19-20-15)6-7-25-10-24/h2-5,8,10H,6-7,9H2,1H3
InChIKeyJRPPKECEAXCYLA-UHFFFAOYSA-N
XLogP1.10
TPSA104.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate?
The IUPAC name of 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate (CID 174685773) is 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate.
What is the SMILES notation for 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate?
The canonical SMILES for 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate is Cn1nnc(-c2ccc(F)cn2)c1COc1ccc(CCOC=O)nn1.
What is the InChIKey of 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate?
The InChIKey is JRPPKECEAXCYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3/c1-23-14(16(21-22-23)13-4-2-11(17)8-18-13)9-26-15-5-3-12(19-20-15)6-7-25-10-24/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate?
2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate has a molecular weight of 358.33 g/mol, XLogP of 1.10, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]ethyl formate is sourced from PubChem (CID 174685773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).