trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol

C8H13N3O — CID 164914016

IUPACtrans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1cc([C@@H]2CCC[C@H]2O)nn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(9-10-11)6-3-2-4-8(6)12/h5-6,8,12H,2-4H2,1H3/t6-,8+/m0/s1
InChIKeyDFDJFRMTCUQULZ-POYBYMJQSA-N
MW167.21 g/mol
LogP0.44
Rot. Bonds1

About trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol

trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol (PubChem CID 164914016) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol
PubChem CID164914016
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nametrans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol
SMILESCn1cc([C@@H]2CCC[C@H]2O)nn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(9-10-11)6-3-2-4-8(6)12/h5-6,8,12H,2-4H2,1H3/t6-,8+/m0/s1
InChIKeyDFDJFRMTCUQULZ-POYBYMJQSA-N
XLogP0.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol (CID 164914016) is trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol is Cn1cc([C@@H]2CCC[C@H]2O)nn1.
What is the InChIKey of trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
The InChIKey is DFDJFRMTCUQULZ-POYBYMJQSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-5-7(9-10-11)6-3-2-4-8(6)12/h5-6,8,12H,2-4H2,1H3/t6-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol?
trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(1-methyltriazol-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 164914016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).