5-(1-chloropropyl)-1H-1,2,4-triazole

C5H8ClN3 — CID 67571292

IUPAC5-(1-chloropropyl)-1H-1,2,4-triazole
SMILESCCC(Cl)c1ncn[nH]1
InChIInChI=1S/C5H8ClN3/c1-2-4(6)5-7-3-8-9-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeySIZNDCWYSGZBQM-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.49
Rot. Bonds2

About 5-(1-chloropropyl)-1H-1,2,4-triazole

5-(1-chloropropyl)-1H-1,2,4-triazole (PubChem CID 67571292) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 5-(1-chloropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-chloropropyl)-1H-1,2,4-triazole
PubChem CID67571292
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name5-(1-chloropropyl)-1H-1,2,4-triazole
SMILESCCC(Cl)c1ncn[nH]1
InChIInChI=1S/C5H8ClN3/c1-2-4(6)5-7-3-8-9-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeySIZNDCWYSGZBQM-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
1-chloro-3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol
CID 86748513
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
2-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 71650519
oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
CID 57256431
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
5-(3-ethylheptan-2-yl)-1H-1,2,4-triazole
CID 160535592
[3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentyl]hydrazine
CID 105230629
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1-chloropropyl)-1H-1,2,4-triazole (CID 67571292) is 5-(1-chloropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1-chloropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1-chloropropyl)-1H-1,2,4-triazole is CCC(Cl)c1ncn[nH]1.
What is the InChIKey of 5-(1-chloropropyl)-1H-1,2,4-triazole?
The InChIKey is SIZNDCWYSGZBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-2-4(6)5-7-3-8-9-5/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 5-(1-chloropropyl)-1H-1,2,4-triazole?
5-(1-chloropropyl)-1H-1,2,4-triazole has a molecular weight of 145.59 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67571292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).