1-(6-bromonaphthalen-2-yl)triazol-4-amine

C12H9BrN4 — CID 81260534

IUPAC1-(6-bromonaphthalen-2-yl)triazol-4-amine
SMILESNc1cn(-c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C12H9BrN4/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14)15-16-17/h1-7H,14H2
InChIKeySGKOCUFEEGIQRS-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.77
Rot. Bonds1

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

1-(6-bromonaphthalen-2-yl)triazol-4-amine (PubChem CID 81260534) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)triazol-4-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)triazol-4-amine
PubChem CID81260534
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name1-(6-bromonaphthalen-2-yl)triazol-4-amine
SMILESNc1cn(-c2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C12H9BrN4/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14)15-16-17/h1-7H,14H2
InChIKeySGKOCUFEEGIQRS-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)triazol-4-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)triazol-4-amine (CID 81260534) is 1-(6-bromonaphthalen-2-yl)triazol-4-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)triazol-4-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)triazol-4-amine is Nc1cn(-c2ccc3cc(Br)ccc3c2)nn1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)triazol-4-amine?
The InChIKey is SGKOCUFEEGIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14)15-16-17/h1-7H,14H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)triazol-4-amine?
1-(6-bromonaphthalen-2-yl)triazol-4-amine has a molecular weight of 289.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)triazol-4-amine is sourced from PubChem (CID 81260534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).