1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine

C21H24N4O — CID 46966193

IUPAC1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3n[nH]nc3-c3ccccc3)CCCC2)cc1
InChIInChI=1S/C21H24N4O/c1-26-18-11-9-17(10-12-18)21(13-5-6-14-21)22-15-19-20(24-25-23-19)16-7-3-2-4-8-16/h2-4,7-12,22H,5-6,13-15H2,1H3,(H,23,24,25)
InChIKeyGFHIZNXSZLFGMZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.04
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine

1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 46966193) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID46966193
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3n[nH]nc3-c3ccccc3)CCCC2)cc1
InChIInChI=1S/C21H24N4O/c1-26-18-11-9-17(10-12-18)21(13-5-6-14-21)22-15-19-20(24-25-23-19)16-7-3-2-4-8-16/h2-4,7-12,22H,5-6,13-15H2,1H3,(H,23,24,25)
InChIKeyGFHIZNXSZLFGMZ-UHFFFAOYSA-N
XLogP4.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5-Dihydro-1H-imidazol-2-yl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,3-triazole
CID 371081
1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine
CID 21478839
5-[(4-Methoxyanilino)methyl]-4-phenyltriazol-1-amine
CID 10494092
1-Benzyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 86086421
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-(4-methoxyphenyl)-5-phenyl-2H-triazole
CID 102244181
2-[5-[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]-2H-triazol-4-yl]propan-1-imine
CID 170147331
1-[(4-Methoxyphenyl)methyl]-5-methyl-4-phenyltriazole
CID 134848541
5-(4-Methoxyphenyl)-1-octyl-4-phenyltriazole
CID 135007998
1-Benzyl-4-(4-methoxyphenyl)-5-prop-2-enyltriazole
CID 154722907
N-[(3-fluoro-4-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 80497129
[1-[(4-Fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94943338

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine (CID 46966193) is 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine is COc1ccc(C2(NCc3n[nH]nc3-c3ccccc3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is GFHIZNXSZLFGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-18-11-9-17(10-12-18)21(13-5-6-14-21)22-15-19-20(24-25-23-19)16-7-3-2-4-8-16/h2-4,7-12,22H,5-6,13-15H2,1H3,(H,23,24,25).
What are the key properties of 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine?
1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 348.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 46966193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).