(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol

C8H13N3O — CID 130567336

IUPAC(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(CC2CC2)nn1
InChIInChI=1S/C8H13N3O/c1-6(12)8-5-11(10-9-8)4-7-2-3-7/h5-7,12H,2-4H2,1H3/t6-/m0/s1
InChIKeyRPOVASAOSYPICR-LURJTMIESA-N
MW167.21 g/mol
LogP0.74
Rot. Bonds3

About (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol

(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol (PubChem CID 130567336) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
PubChem CID130567336
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
SMILESC[C@H](O)c1cn(CC2CC2)nn1
InChIInChI=1S/C8H13N3O/c1-6(12)8-5-11(10-9-8)4-7-2-3-7/h5-7,12H,2-4H2,1H3/t6-/m0/s1
InChIKeyRPOVASAOSYPICR-LURJTMIESA-N
XLogP0.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 62401663
CID 62401663
CID 12654349
CID 12654349
CID 12654351
CID 12654351
CID 56995281
CID 56995281
CID 62402024
CID 62402024
CID 67023023
CID 67023023
CID 67486163
CID 67486163
CID 81445217
CID 81445217
CID 112756264
CID 112756264
CID 122163655
CID 122163655
CID 122163800
CID 122163800
CID 137636698
CID 137636698

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol (CID 130567336) is (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol is C[C@H](O)c1cn(CC2CC2)nn1.
What is the InChIKey of (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol?
The InChIKey is RPOVASAOSYPICR-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(12)8-5-11(10-9-8)4-7-2-3-7/h5-7,12H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol?
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 130567336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).