1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole

C16H21N3O — CID 126836995

IUPAC1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole
SMILESCc1ccc(OCc2cn(C3CCC(C)C3)nn2)cc1
InChIInChI=1S/C16H21N3O/c1-12-4-7-16(8-5-12)20-11-14-10-19(18-17-14)15-6-3-13(2)9-15/h4-5,7-8,10,13,15H,3,6,9,11H2,1-2H3
InChIKeyRPERIZMIFJOCJX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds4

About 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole

1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole (PubChem CID 126836995) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole
PubChem CID126836995
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole
SMILESCc1ccc(OCc2cn(C3CCC(C)C3)nn2)cc1
InChIInChI=1S/C16H21N3O/c1-12-4-7-16(8-5-12)20-11-14-10-19(18-17-14)15-6-3-13(2)9-15/h4-5,7-8,10,13,15H,3,6,9,11H2,1-2H3
InChIKeyRPERIZMIFJOCJX-UHFFFAOYSA-N
XLogP3.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

alpha7 Agonists 7
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alpha7 Agonists 18q
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alpha7 Agonists 18t
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1-(Cyclohexylmethyl)-4-(4-methoxyphenyl)triazole
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4-[[4-[(4-Cyanophenoxy)methyl]triazol-1-yl]-(4-cyanophenyl)methyl]benzonitrile
CID 54576531
4-[(1-Benzyltriazol-4-yl)methoxy]benzonitrile
CID 54576532
4-[[4-(Phenoxymethyl)triazol-1-yl]methyl]benzonitrile
CID 54771792
4-[[4-[(4-Cyanophenoxy)methyl]triazol-1-yl]methyl]benzonitrile
CID 54771794
4-[[4-[(4-Methylphenoxy)methyl]triazol-1-yl]methyl]benzonitrile
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1-Benzyl-4-[(4-methylphenoxy)methyl]triazole
CID 56681975

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole?
The IUPAC name of 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole (CID 126836995) is 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole.
What is the SMILES notation for 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole?
The canonical SMILES for 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole is Cc1ccc(OCc2cn(C3CCC(C)C3)nn2)cc1.
What is the InChIKey of 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole?
The InChIKey is RPERIZMIFJOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-4-7-16(8-5-12)20-11-14-10-19(18-17-14)15-6-3-13(2)9-15/h4-5,7-8,10,13,15H,3,6,9,11H2,1-2H3.
What are the key properties of 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole?
1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole has a molecular weight of 271.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole is sourced from PubChem (CID 126836995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).