1-[1-(6-chloronaphthalen-2-yl)propyl]triazole

C15H14ClN3 — CID 174631783

IUPAC1-[1-(6-chloronaphthalen-2-yl)propyl]triazole
SMILESCCC(c1ccc2cc(Cl)ccc2c1)n1ccnn1
InChIInChI=1S/C15H14ClN3/c1-2-15(19-8-7-17-18-19)13-4-3-12-10-14(16)6-5-11(12)9-13/h3-10,15H,2H2,1H3
InChIKeyLWBFPMYKAKJHJU-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds3

About 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole

1-[1-(6-chloronaphthalen-2-yl)propyl]triazole (PubChem CID 174631783) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole.

Molecular Properties

Compound Name1-[1-(6-chloronaphthalen-2-yl)propyl]triazole
PubChem CID174631783
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name1-[1-(6-chloronaphthalen-2-yl)propyl]triazole
SMILESCCC(c1ccc2cc(Cl)ccc2c1)n1ccnn1
InChIInChI=1S/C15H14ClN3/c1-2-15(19-8-7-17-18-19)13-4-3-12-10-14(16)6-5-11(12)9-13/h3-10,15H,2H2,1H3
InChIKeyLWBFPMYKAKJHJU-UHFFFAOYSA-N
XLogP4.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole?
The IUPAC name of 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole (CID 174631783) is 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole.
What is the SMILES notation for 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole?
The canonical SMILES for 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole is CCC(c1ccc2cc(Cl)ccc2c1)n1ccnn1.
What is the InChIKey of 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole?
The InChIKey is LWBFPMYKAKJHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-2-15(19-8-7-17-18-19)13-4-3-12-10-14(16)6-5-11(12)9-13/h3-10,15H,2H2,1H3.
What are the key properties of 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole?
1-[1-(6-chloronaphthalen-2-yl)propyl]triazole has a molecular weight of 271.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloronaphthalen-2-yl)propyl]triazole is sourced from PubChem (CID 174631783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).