5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline

C14H12ClN7 — CID 66561642

IUPAC5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline
SMILESClCCCc1cn(-c2cc3nnnn3c3ccccc23)nn1
InChIInChI=1S/C14H12ClN7/c15-7-3-4-10-9-21(19-16-10)13-8-14-17-18-20-22(14)12-6-2-1-5-11(12)13/h1-2,5-6,8-9H,3-4,7H2
InChIKeyZTDWKLOSRKUIEH-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.03
Rot. Bonds4

About 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline

5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline (PubChem CID 66561642) has the molecular formula C14H12ClN7 and a molecular weight of 313.75 g/mol. Its IUPAC name is 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline
PubChem CID66561642
Molecular FormulaC14H12ClN7
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline
SMILESClCCCc1cn(-c2cc3nnnn3c3ccccc23)nn1
InChIInChI=1S/C14H12ClN7/c15-7-3-4-10-9-21(19-16-10)13-8-14-17-18-20-22(14)12-6-2-1-5-11(12)13/h1-2,5-6,8-9H,3-4,7H2
InChIKeyZTDWKLOSRKUIEH-UHFFFAOYSA-N
XLogP2.03
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline?
The IUPAC name of 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline (CID 66561642) is 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline.
What is the SMILES notation for 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline?
The canonical SMILES for 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline is ClCCCc1cn(-c2cc3nnnn3c3ccccc23)nn1.
What is the InChIKey of 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline?
The InChIKey is ZTDWKLOSRKUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7/c15-7-3-4-10-9-21(19-16-10)13-8-14-17-18-20-22(14)12-6-2-1-5-11(12)13/h1-2,5-6,8-9H,3-4,7H2.
What are the key properties of 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline?
5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline has a molecular weight of 313.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloropropyl)triazol-1-yl]tetrazolo[1,5-a]quinoline is sourced from PubChem (CID 66561642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).