N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine

C19H26FN5 — CID 131910268

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(N2CCC(NCc3nncn3C3CCCCC3)C2)cc1
InChIInChI=1S/C19H26FN5/c20-15-6-8-17(9-7-15)24-11-10-16(13-24)21-12-19-23-22-14-25(19)18-4-2-1-3-5-18/h6-9,14,16,18,21H,1-5,10-13H2
InChIKeyUAEGTWUBHFZSDF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.29
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 131910268) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine
PubChem CID131910268
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(N2CCC(NCc3nncn3C3CCCCC3)C2)cc1
InChIInChI=1S/C19H26FN5/c20-15-6-8-17(9-7-15)24-11-10-16(13-24)21-12-19-23-22-14-25(19)18-4-2-1-3-5-18/h6-9,14,16,18,21H,1-5,10-13H2
InChIKeyUAEGTWUBHFZSDF-UHFFFAOYSA-N
XLogP3.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine (CID 131910268) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine is Fc1ccc(N2CCC(NCc3nncn3C3CCCCC3)C2)cc1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is UAEGTWUBHFZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c20-15-6-8-17(9-7-15)24-11-10-16(13-24)21-12-19-23-22-14-25(19)18-4-2-1-3-5-18/h6-9,14,16,18,21H,1-5,10-13H2.
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 343.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 131910268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).