N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine

C15H18F2N4 — CID 45269349

IUPACN-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)nnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N4/c1-10-15(9-18-11-4-2-3-5-11)19-20-21(10)12-6-7-13(16)14(17)8-12/h6-8,11,18H,2-5,9H2,1H3
InChIKeyCLESYYRJXQSKDI-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.89
Rot. Bonds4

About N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine

N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine (PubChem CID 45269349) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine
PubChem CID45269349
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC NameN-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)nnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N4/c1-10-15(9-18-11-4-2-3-5-11)19-20-21(10)12-6-7-13(16)14(17)8-12/h6-8,11,18H,2-5,9H2,1H3
InChIKeyCLESYYRJXQSKDI-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
1-phenyl-1H,4H,5H,6H,7H-(1,2,3)triazolo(4,5-c)pyridine
CID 1108279
N-[2-(5-ethyl-1-phenyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
CID 155555780
Pyrazole, 3,5-dimethyl-4-(ethylamino)-1-phenyl-
CID 210533
4-(4-ethyl-1H-1,2,3-triazol-1-yl)-2-fluoroaniline
CID 53242244
N-methyl-N-[2-(1-phenyl-5-propyltriazol-4-yl)ethyl]prop-2-yn-1-amine
CID 155550746
1-(1-phenyl-1H-1,2,3-triazol-5-yl)methanamine
CID 56772096
2-fluoro-4-(4-methyl-1H-1,2,3-triazol-1-yl)aniline
CID 66545207
1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 71756186
1-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methanamine dihydrochloride
CID 154878745
(1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 96053367
{[4-(tert-butyl)(1H-1,2,3-triazol-5-yl)]methyl}phenylamine
CID 6411523

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine (CID 45269349) is N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine is Cc1c(CNC2CCCC2)nnn1-c1ccc(F)c(F)c1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine?
The InChIKey is CLESYYRJXQSKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-10-15(9-18-11-4-2-3-5-11)19-20-21(10)12-6-7-13(16)14(17)8-12/h6-8,11,18H,2-5,9H2,1H3.
What are the key properties of N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine?
N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine has a molecular weight of 292.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45269349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).