5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole

C14H24N4 — CID 112571297

IUPAC5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1CC1(C2CCCC2)CNC1
InChIInChI=1S/C14H24N4/c1-11(2)18-13(16-10-17-18)7-14(8-15-9-14)12-5-3-4-6-12/h10-12,15H,3-9H2,1-2H3
InChIKeyVHKMBXPTEIXXKI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.18
Rot. Bonds4

About 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole

5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole (PubChem CID 112571297) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
PubChem CID112571297
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1CC1(C2CCCC2)CNC1
InChIInChI=1S/C14H24N4/c1-11(2)18-13(16-10-17-18)7-14(8-15-9-14)12-5-3-4-6-12/h10-12,15H,3-9H2,1-2H3
InChIKeyVHKMBXPTEIXXKI-UHFFFAOYSA-N
XLogP2.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepane
CID 103983894
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 66466460
5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79459582
5-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79459830
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79460484
5-[[1-(chloromethyl)cyclobutyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66036230
5-[[1-(bromomethyl)cyclopentyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66049123
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol
CID 106873873
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 114510267
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080410

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole (CID 112571297) is 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole is CC(C)n1ncnc1CC1(C2CCCC2)CNC1.
What is the InChIKey of 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
The InChIKey is VHKMBXPTEIXXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)18-13(16-10-17-18)7-14(8-15-9-14)12-5-3-4-6-12/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole has a molecular weight of 248.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 112571297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).