cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine

C18H18FN5 — CID 133127956

IUPACcis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc(-c3ccncc3)nn2-c2cccc(F)c2)C1
InChIInChI=1S/C18H18FN5/c19-14-2-1-3-16(11-14)24-18(13-4-5-15(20)10-13)22-17(23-24)12-6-8-21-9-7-12/h1-3,6-9,11,13,15H,4-5,10,20H2/t13-,15+/m1/s1
InChIKeyAIUDYMUHRXCKJJ-HIFRSBDPSA-N
MW323.38 g/mol
LogP3.06
Rot. Bonds3

About cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine

cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine (PubChem CID 133127956) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine
PubChem CID133127956
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Namecis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](c2nc(-c3ccncc3)nn2-c2cccc(F)c2)C1
InChIInChI=1S/C18H18FN5/c19-14-2-1-3-16(11-14)24-18(13-4-5-15(20)10-13)22-17(23-24)12-6-8-21-9-7-12/h1-3,6-9,11,13,15H,4-5,10,20H2/t13-,15+/m1/s1
InChIKeyAIUDYMUHRXCKJJ-HIFRSBDPSA-N
XLogP3.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
CID 155965920
4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 56956145
1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497585
5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115037644
[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol
CID 82082370
2-(3-fluorophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965505
4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine
CID 72874849
(1S,2S,4S)-2-amino-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,2,4-triazol-3-yl]cyclopentan-1-ol
CID 155502651
2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile
CID 82084653
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 46621478
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine (CID 133127956) is cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine is N[C@H]1CC[C@@H](c2nc(-c3ccncc3)nn2-c2cccc(F)c2)C1.
What is the InChIKey of cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine?
The InChIKey is AIUDYMUHRXCKJJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H18FN5/c19-14-2-1-3-16(11-14)24-18(13-4-5-15(20)10-13)22-17(23-24)12-6-8-21-9-7-12/h1-3,6-9,11,13,15H,4-5,10,20H2/t13-,15+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine has a molecular weight of 323.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[2-(3-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 133127956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).