6-bromo-N-naphthalen-1-yltriazin-4-amine

C13H9BrN4 — CID 174919702

IUPAC6-bromo-N-naphthalen-1-yltriazin-4-amine
SMILESBrc1cc(Nc2cccc3ccccc23)nnn1
InChIInChI=1S/C13H9BrN4/c14-12-8-13(17-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16,17)
InChIKeyQTPBPXPDAXJNHH-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.53
Rot. Bonds2

About 6-bromo-N-naphthalen-1-yltriazin-4-amine

6-bromo-N-naphthalen-1-yltriazin-4-amine (PubChem CID 174919702) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-1-yltriazin-4-amine.

Molecular Properties

Compound Name6-bromo-N-naphthalen-1-yltriazin-4-amine
PubChem CID174919702
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC Name6-bromo-N-naphthalen-1-yltriazin-4-amine
SMILESBrc1cc(Nc2cccc3ccccc23)nnn1
InChIInChI=1S/C13H9BrN4/c14-12-8-13(17-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16,17)
InChIKeyQTPBPXPDAXJNHH-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-naphthalen-1-ylpyridin-2-amine
CID 63961930
5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
CID 63874030
5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
4-methyl-N-naphthalen-1-ylphthalazin-1-amine
CID 1387760
2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
CID 55065329
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 58028170
N-naphthalen-1-yl-5-phenylpyrazin-2-amine
CID 137489949
5-(naphthalen-1-ylamino)-2H-1,2,4-triazine-3-thione
CID 23412159
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 5499247

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-naphthalen-1-yltriazin-4-amine?
The IUPAC name of 6-bromo-N-naphthalen-1-yltriazin-4-amine (CID 174919702) is 6-bromo-N-naphthalen-1-yltriazin-4-amine.
What is the SMILES notation for 6-bromo-N-naphthalen-1-yltriazin-4-amine?
The canonical SMILES for 6-bromo-N-naphthalen-1-yltriazin-4-amine is Brc1cc(Nc2cccc3ccccc23)nnn1.
What is the InChIKey of 6-bromo-N-naphthalen-1-yltriazin-4-amine?
The InChIKey is QTPBPXPDAXJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-12-8-13(17-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,16,17).
What are the key properties of 6-bromo-N-naphthalen-1-yltriazin-4-amine?
6-bromo-N-naphthalen-1-yltriazin-4-amine has a molecular weight of 301.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-naphthalen-1-yltriazin-4-amine is sourced from PubChem (CID 174919702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).