(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol

C7H13N3O — CID 124596958

IUPAC(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
SMILESCC(C)n1cc([C@H](C)O)nn1
InChIInChI=1S/C7H13N3O/c1-5(2)10-4-7(6(3)11)8-9-10/h4-6,11H,1-3H3/t6-/m0/s1
InChIKeyPBOCCKDVSPHWML-LURJTMIESA-N
MW155.20 g/mol
LogP0.91
Rot. Bonds2

About (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol

(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol (PubChem CID 124596958) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
PubChem CID124596958
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
SMILESCC(C)n1cc([C@H](C)O)nn1
InChIInChI=1S/C7H13N3O/c1-5(2)10-4-7(6(3)11)8-9-10/h4-6,11H,1-3H3/t6-/m0/s1
InChIKeyPBOCCKDVSPHWML-LURJTMIESA-N
XLogP0.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-iodoethyl)triazol-4-yl]ethanol
CID 170178991
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
CID 130567345
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 81444021
N-cyclopropyl-2-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444580
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide
CID 81444584
3-[4-(1-bromoethyl)triazol-1-yl]butan-2-ol
CID 130567128
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
trimethyl-(1-propan-2-yltriazol-4-yl)silane
CID 140904244
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)
CID 163923227
1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)-2H-triazol-1-ium
CID 157157353
(1S)-1-[1-(2,2,2-trifluoroethyl)triazol-4-yl]ethanol
CID 130567367
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol?
The IUPAC name of (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol (CID 124596958) is (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol?
The canonical SMILES for (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol is CC(C)n1cc([C@H](C)O)nn1.
What is the InChIKey of (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol?
The InChIKey is PBOCCKDVSPHWML-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)10-4-7(6(3)11)8-9-10/h4-6,11H,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol?
(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-propan-2-yltriazol-4-yl)ethanol is sourced from PubChem (CID 124596958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).