3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole

C15H16N6 — CID 136569269

IUPAC3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2Cn2cc(C3CCC3)nn2)cc1
InChIInChI=1S/C15H16N6/c1-2-7-13(8-3-1)21-11-16-18-15(21)10-20-9-14(17-19-20)12-5-4-6-12/h1-3,7-9,11-12H,4-6,10H2
InChIKeyLOMDKHDFJFLNQI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds4

About 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole

3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole (PubChem CID 136569269) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole
PubChem CID136569269
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2Cn2cc(C3CCC3)nn2)cc1
InChIInChI=1S/C15H16N6/c1-2-7-13(8-3-1)21-11-16-18-15(21)10-20-9-14(17-19-20)12-5-4-6-12/h1-3,7-9,11-12H,4-6,10H2
InChIKeyLOMDKHDFJFLNQI-UHFFFAOYSA-N
XLogP2.17
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
CID 115393404
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
CID 115393361
3-[[4-[(3R)-1-ethylpiperidin-3-yl]triazol-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 97195972
4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62709390
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
CID 97138633
4-cycloundecyl-1-(pyren-1-ylmethyl)triazole
CID 135009918
3-[(3-cyclopropyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole
CID 166393819
N-[(1S,2R)-2-cyclohexylcyclopropyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 96565813
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103
N-[(2-hydroxycyclopentyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 111471250

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole (CID 136569269) is 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2Cn2cc(C3CCC3)nn2)cc1.
What is the InChIKey of 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole?
The InChIKey is LOMDKHDFJFLNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-7-13(8-3-1)21-11-16-18-15(21)10-20-9-14(17-19-20)12-5-4-6-12/h1-3,7-9,11-12H,4-6,10H2.
What are the key properties of 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole?
3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole has a molecular weight of 280.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclobutyltriazol-1-yl)methyl]-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 136569269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).