5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine

C25H26FN5 — CID 160727810

IUPAC5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine
SMILESC[C@@H](c1nc(Nc2ccccc2)n[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H26FN5/c1-16(24-29-25(31-30-24)28-20-5-3-2-4-6-20)17-7-9-18(10-8-17)21-13-14-27-23-12-11-19(26)15-22(21)23/h2-6,11-18H,7-10H2,1H3,(H2,28,29,30,31)/t16-,17?,18?/m1/s1
InChIKeyRTYBVKOIWRGTPP-WWDZGPRUSA-N
MW415.52 g/mol
LogP6.31
Rot. Bonds5

About 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine

5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 160727810) has the molecular formula C25H26FN5 and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID160727810
Molecular FormulaC25H26FN5
Molecular Weight415.52 g/mol
Exact Mass415.22
IUPAC Name5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine
SMILESC[C@@H](c1nc(Nc2ccccc2)n[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H26FN5/c1-16(24-29-25(31-30-24)28-20-5-3-2-4-6-20)17-7-9-18(10-8-17)21-13-14-27-23-12-11-19(26)15-22(21)23/h2-6,11-18H,7-10H2,1H3,(H2,28,29,30,31)/t16-,17?,18?/m1/s1
InChIKeyRTYBVKOIWRGTPP-WWDZGPRUSA-N
XLogP6.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-4-[4-[1-[3-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]cyclohexyl]quinoline
CID 166731305
4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
4-[4-[1-(6-cyclopentyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664674
4-[4-[1-(7-chloro-4,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664308
4-[4-[(1S)-1-(7-chloro-4,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664686
4-[4-[1-(4-chloro-6,7-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664525
6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline
CID 166746621
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-[(1-hydroxycyclobutyl)methyl]-3H-benzimidazole-5-carboxamide;bis(2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-3H-benzimidazole-5-carboxamide)
CID 165022508
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 175040529
methyl 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155318972
methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155322794

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine (CID 160727810) is 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine is C[C@@H](c1nc(Nc2ccccc2)n[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is RTYBVKOIWRGTPP-WWDZGPRUSA-N. The full InChI is InChI=1S/C25H26FN5/c1-16(24-29-25(31-30-24)28-20-5-3-2-4-6-20)17-7-9-18(10-8-17)21-13-14-27-23-12-11-19(26)15-22(21)23/h2-6,11-18H,7-10H2,1H3,(H2,28,29,30,31)/t16-,17?,18?/m1/s1.
What are the key properties of 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine?
5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 415.52 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 160727810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).