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

C14H13BrN4 — CID 116641627

IUPAC2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
SMILESNCCc1cn(-c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C14H13BrN4/c15-12-3-1-11-8-14(4-2-10(11)7-12)19-9-13(5-6-16)17-18-19/h1-4,7-9H,5-6,16H2
InChIKeyGSGVSIFNFWANSL-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.68
Rot. Bonds3

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

2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine (PubChem CID 116641627) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
PubChem CID116641627
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
SMILESNCCc1cn(-c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C14H13BrN4/c15-12-3-1-11-8-14(4-2-10(11)7-12)19-9-13(5-6-16)17-18-19/h1-4,7-9H,5-6,16H2
InChIKeyGSGVSIFNFWANSL-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]butan-1-amine
CID 104539055
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612
1-(6-bromonaphthalen-2-yl)triazol-4-amine
CID 81260534
3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
CID 106220432
3-[1-(3-bromophenyl)triazol-4-yl]propan-1-amine
CID 106220469
2-[1-(4-bromo-3-nitrophenyl)triazol-4-yl]ethanamine
CID 116641621
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 116641585
1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
CID 106227230
2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine
CID 114250514
2-[1-(3,4,5-trifluorophenyl)triazol-4-yl]ethanamine
CID 116641604
2-[1-(3-bromoquinolin-8-yl)triazol-4-yl]ethanamine
CID 116785445
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine (CID 116641627) is 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine is NCCc1cn(-c2ccc3cc(Br)ccc3c2)nn1.
What is the InChIKey of 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine?
The InChIKey is GSGVSIFNFWANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c15-12-3-1-11-8-14(4-2-10(11)7-12)19-9-13(5-6-16)17-18-19/h1-4,7-9H,5-6,16H2.
What are the key properties of 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine?
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine has a molecular weight of 317.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116641627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).