trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol

C10H17N3O — CID 122235788

IUPACtrans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol
SMILESCC(C)c1ncn([C@@H]2CCC[C@H]2O)n1
InChIInChI=1S/C10H17N3O/c1-7(2)10-11-6-13(12-10)8-4-3-5-9(8)14/h6-9,14H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyRNIJYNXOMVKCIH-RKDXNWHRSA-N
MW195.27 g/mol
LogP1.49
Rot. Bonds2

About trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol (PubChem CID 122235788) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol
PubChem CID122235788
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nametrans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol
SMILESCC(C)c1ncn([C@@H]2CCC[C@H]2O)n1
InChIInChI=1S/C10H17N3O/c1-7(2)10-11-6-13(12-10)8-4-3-5-9(8)14/h6-9,14H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyRNIJYNXOMVKCIH-RKDXNWHRSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol (CID 122235788) is trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol is CC(C)c1ncn([C@@H]2CCC[C@H]2O)n1.
What is the InChIKey of trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol?
The InChIKey is RNIJYNXOMVKCIH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10-11-6-13(12-10)8-4-3-5-9(8)14/h6-9,14H,3-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-propan-2-yl-1,2,4-triazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 122235788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).