5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine

C9H13FN4 — CID 126770985

IUPAC5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCn1ncnc1CN1CCC=C(F)C1
InChIInChI=1S/C9H13FN4/c1-13-9(11-7-12-13)6-14-4-2-3-8(10)5-14/h3,7H,2,4-6H2,1H3
InChIKeyZAJFNBRTAPZOGO-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.87
Rot. Bonds2

About 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine

5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 126770985) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID126770985
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCn1ncnc1CN1CCC=C(F)C1
InChIInChI=1S/C9H13FN4/c1-13-9(11-7-12-13)6-14-4-2-3-8(10)5-14/h3,7H,2,4-6H2,1H3
InChIKeyZAJFNBRTAPZOGO-UHFFFAOYSA-N
XLogP0.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine (CID 126770985) is 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine is Cn1ncnc1CN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is ZAJFNBRTAPZOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-13-9(11-7-12-13)6-14-4-2-3-8(10)5-14/h3,7H,2,4-6H2,1H3.
What are the key properties of 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 196.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126770985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).