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

C10H15FN4 — CID 129348536

IUPAC5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
SMILESCc1nc([C@H](C)N2CCC=C(F)C2)n[nH]1
InChIInChI=1S/C10H15FN4/c1-7(10-12-8(2)13-14-10)15-5-3-4-9(11)6-15/h4,7H,3,5-6H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyLDLQGWNCYCLBHE-ZETCQYMHSA-N
MW210.26 g/mol
LogP1.73
Rot. Bonds2

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

5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine (PubChem CID 129348536) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
PubChem CID129348536
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
SMILESCc1nc([C@H](C)N2CCC=C(F)C2)n[nH]1
InChIInChI=1S/C10H15FN4/c1-7(10-12-8(2)13-14-10)15-5-3-4-9(11)6-15/h4,7H,3,5-6H2,1-2H3,(H,12,13,14)/t7-/m0/s1
InChIKeyLDLQGWNCYCLBHE-ZETCQYMHSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

5-fluoro-1-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 126790384
5-fluoro-1-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348535
1-(1H-1,2,4-triazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
CID 138667261
ethane;N-ethyl-1-[3-[(Z)-3-iminobut-1-enyl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 145536085
1-propan-2-yl-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 166030745
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 166085082
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 5247902
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine
CID 10921081
5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 11106204
N-ethyl-3-methyl-1-(1H-1,2,4-triazol-5-yl)but-2-en-1-amine
CID 79177740
3-methyl-N-propyl-1-(1H-1,2,4-triazol-5-yl)but-2-en-1-amine
CID 79177963
1-(5-ethyl-1H-1,2,4-triazol-3-yl)but-3-en-1-amine
CID 81772904

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine (CID 129348536) is 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine is Cc1nc([C@H](C)N2CCC=C(F)C2)n[nH]1.
What is the InChIKey of 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is LDLQGWNCYCLBHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15FN4/c1-7(10-12-8(2)13-14-10)15-5-3-4-9(11)6-15/h4,7H,3,5-6H2,1-2H3,(H,12,13,14)/t7-/m0/s1.
What are the key properties of 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine?
5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 210.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 129348536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).