trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol

C13H19N5O — CID 166314667

IUPACtrans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol
SMILESCc1ncn(Cc2cn([C@@H]3CCC[C@H]3O)nn2)c1C
InChIInChI=1S/C13H19N5O/c1-9-10(2)17(8-14-9)6-11-7-18(16-15-11)12-4-3-5-13(12)19/h7-8,12-13,19H,3-6H2,1-2H3/t12-,13-/m1/s1
InChIKeyVGZPOITXMBTRPX-CHWSQXEVSA-N
MW261.33 g/mol
LogP1.23
Rot. Bonds3

About trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol

trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol (PubChem CID 166314667) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol
PubChem CID166314667
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Nametrans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol
SMILESCc1ncn(Cc2cn([C@@H]3CCC[C@H]3O)nn2)c1C
InChIInChI=1S/C13H19N5O/c1-9-10(2)17(8-14-9)6-11-7-18(16-15-11)12-4-3-5-13(12)19/h7-8,12-13,19H,3-6H2,1-2H3/t12-,13-/m1/s1
InChIKeyVGZPOITXMBTRPX-CHWSQXEVSA-N
XLogP1.23
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol (CID 166314667) is trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol is Cc1ncn(Cc2cn([C@@H]3CCC[C@H]3O)nn2)c1C.
What is the InChIKey of trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol?
The InChIKey is VGZPOITXMBTRPX-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-10(2)17(8-14-9)6-11-7-18(16-15-11)12-4-3-5-13(12)19/h7-8,12-13,19H,3-6H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol?
trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 166314667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).