4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine

C11H13FN4 — CID 154743296

IUPAC4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine
SMILESCCC(C)n1cc(-c2ccncc2F)nn1
InChIInChI=1S/C11H13FN4/c1-3-8(2)16-7-11(14-15-16)9-4-5-13-6-10(9)12/h4-8H,3H2,1-2H3
InChIKeySGPASBMZDQSGPF-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.45
Rot. Bonds3

About 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine

4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine (PubChem CID 154743296) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine.

Molecular Properties

Compound Name4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine
PubChem CID154743296
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine
SMILESCCC(C)n1cc(-c2ccncc2F)nn1
InChIInChI=1S/C11H13FN4/c1-3-8(2)16-7-11(14-15-16)9-4-5-13-6-10(9)12/h4-8H,3H2,1-2H3
InChIKeySGPASBMZDQSGPF-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine
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1-butan-2-yltriazol-4-amine
CID 79530660
N-ethyl-6-(3-fluoro-4-pyridinyl)pyridazin-3-amine
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1-butan-2-yl-4-ethyltriazole
CID 138568192
(1S)-1-(1-butan-2-yltriazol-4-yl)ethanamine
CID 130567529
1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
CID 113447308
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide
CID 166371684
2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine
CID 113447341
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
1-[4-(3-fluoro-4-pyridinyl)phenyl]ethanamine
CID 104738782
4-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541308

Frequently Asked Questions

What is the IUPAC name of 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine?
The IUPAC name of 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine (CID 154743296) is 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine.
What is the SMILES notation for 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine?
The canonical SMILES for 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine is CCC(C)n1cc(-c2ccncc2F)nn1.
What is the InChIKey of 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine?
The InChIKey is SGPASBMZDQSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-3-8(2)16-7-11(14-15-16)9-4-5-13-6-10(9)12/h4-8H,3H2,1-2H3.
What are the key properties of 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine?
4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine has a molecular weight of 220.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine is sourced from PubChem (CID 154743296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).