(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

1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45190479
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45191246
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739233
(1R)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739230
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204
[1-(cyclopropylmethyl)triazol-4-yl]-(2,4-dibromo-1,3-thiazol-5-yl)methanol
CID 164719332
[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 45220142
(2R,3R,4R,5R)-2-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 11149583
1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol
CID 81444003

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).