1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine

C15H15BrN4 — CID 106227230

IUPAC1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(-c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C15H15BrN4/c1-2-14(17)15-9-20(19-18-15)13-6-4-10-7-12(16)5-3-11(10)8-13/h3-9,14H,2,17H2,1H3
InChIKeyZDVBNYLJLKECGD-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.59
Rot. Bonds3

About 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine

1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine (PubChem CID 106227230) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
PubChem CID106227230
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(-c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C15H15BrN4/c1-2-14(17)15-9-20(19-18-15)13-6-4-10-7-12(16)5-3-11(10)8-13/h3-9,14H,2,17H2,1H3
InChIKeyZDVBNYLJLKECGD-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226775
1-[1-(3-chloro-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226670
1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
CID 114160847
1-(6-bromonaphthalen-2-yl)triazol-4-amine
CID 81260534
1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
CID 106227126
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
CID 116641627
1-[1-(2-bromo-5-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 106227192
4-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]butan-1-amine
CID 104539055
1-[1-(2,4,5-trichlorophenyl)triazol-4-yl]propan-1-amine
CID 106226938
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]butan-1-amine
CID 106226655
1-(3-bromo-4-methylphenyl)-4-(diethoxymethyl)triazole
CID 66216429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine (CID 106227230) is 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine is CCC(N)c1cn(-c2ccc3cc(Br)ccc3c2)nn1.
What is the InChIKey of 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine?
The InChIKey is ZDVBNYLJLKECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-2-14(17)15-9-20(19-18-15)13-6-4-10-7-12(16)5-3-11(10)8-13/h3-9,14H,2,17H2,1H3.
What are the key properties of 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine?
1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine has a molecular weight of 331.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).