N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine

C15H18F2N4 — CID 45273672

IUPACN-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine
SMILESCn1c(CNC2CCCC2)nnc1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2N4/c1-21-14(9-18-13-4-2-3-5-13)19-20-15(21)10-6-11(16)8-12(17)7-10/h6-8,13,18H,2-5,9H2,1H3
InChIKeyMXPMYHOEQBDZMD-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.79
Rot. Bonds4

About N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine

N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine (PubChem CID 45273672) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine
PubChem CID45273672
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC NameN-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine
SMILESCn1c(CNC2CCCC2)nnc1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H18F2N4/c1-21-14(9-18-13-4-2-3-5-13)19-20-15(21)10-6-11(16)8-12(17)7-10/h6-8,13,18H,2-5,9H2,1H3
InChIKeyMXPMYHOEQBDZMD-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 154929638
CID 154929638
CID 118726300
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CID 135368471
CID 135368471
CID 154929697
CID 154929697
CID 50988710
CID 50988710
CID 62951487
CID 62951487
CID 75480397
CID 75480397
CID 45832007
CID 45832007
CID 52380255
CID 52380255
CID 53192325
CID 53192325
CID 53546798
CID 53546798
CID 70755836
CID 70755836

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine (CID 45273672) is N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine is Cn1c(CNC2CCCC2)nnc1-c1cc(F)cc(F)c1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine?
The InChIKey is MXPMYHOEQBDZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-21-14(9-18-13-4-2-3-5-13)19-20-15(21)10-6-11(16)8-12(17)7-10/h6-8,13,18H,2-5,9H2,1H3.
What are the key properties of N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine?
N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine has a molecular weight of 292.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45273672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).