1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol

C7H12ClN3O — CID 130567159

IUPAC1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nncc1C(C)Cl
InChIInChI=1S/C7H12ClN3O/c1-5(12)4-11-7(6(2)8)3-9-10-11/h3,5-6,12H,4H2,1-2H3
InChIKeyGLVZSRVLNXFLNF-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.96
Rot. Bonds3

About 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol

1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol (PubChem CID 130567159) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol
PubChem CID130567159
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nncc1C(C)Cl
InChIInChI=1S/C7H12ClN3O/c1-5(12)4-11-7(6(2)8)3-9-10-11/h3,5-6,12H,4H2,1-2H3
InChIKeyGLVZSRVLNXFLNF-UHFFFAOYSA-N
XLogP0.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(1-chloroethyl)triazol-1-yl]methyl]-2H-tetrazole
CID 130590062
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
CID 129088824
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
1-[3-[(1-methylcyclobutyl)methyl]triazol-4-yl]ethanol
CID 130601818
(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol
CID 130567036
2-[3-(2-fluoro-2-methylpropyl)triazol-4-yl]propanoic acid
CID 84680927
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol
CID 130815277
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol (CID 130567159) is 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol is CC(O)Cn1nncc1C(C)Cl.
What is the InChIKey of 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol?
The InChIKey is GLVZSRVLNXFLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-5(12)4-11-7(6(2)8)3-9-10-11/h3,5-6,12H,4H2,1-2H3.
What are the key properties of 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol?
1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol has a molecular weight of 189.65 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 130567159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).