2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline

C14H17FN4 — CID 61361775

IUPAC2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline
SMILESCc1nnc(-c2c(N)cccc2F)n1C1CCCC1
InChIInChI=1S/C14H17FN4/c1-9-17-18-14(19(9)10-5-2-3-6-10)13-11(15)7-4-8-12(13)16/h4,7-8,10H,2-3,5-6,16H2,1H3
InChIKeyIZLKVWWHDIHLRJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.09
Rot. Bonds2

About 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline

2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline (PubChem CID 61361775) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline
PubChem CID61361775
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline
SMILESCc1nnc(-c2c(N)cccc2F)n1C1CCCC1
InChIInChI=1S/C14H17FN4/c1-9-17-18-14(19(9)10-5-2-3-6-10)13-11(15)7-4-8-12(13)16/h4,7-8,10H,2-3,5-6,16H2,1H3
InChIKeyIZLKVWWHDIHLRJ-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline?
The IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline (CID 61361775) is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline.
What is the SMILES notation for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline?
The canonical SMILES for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline is Cc1nnc(-c2c(N)cccc2F)n1C1CCCC1.
What is the InChIKey of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline?
The InChIKey is IZLKVWWHDIHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-9-17-18-14(19(9)10-5-2-3-6-10)13-11(15)7-4-8-12(13)16/h4,7-8,10H,2-3,5-6,16H2,1H3.
What are the key properties of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline?
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline has a molecular weight of 260.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-fluoroaniline is sourced from PubChem (CID 61361775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).