5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine

C12H10BrN5 — CID 113292704

IUPAC5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(-c2ccc3cc(Br)ccc3c2)n1N
InChIInChI=1S/C12H10BrN5/c13-10-4-3-7-5-9(2-1-8(7)6-10)11-16-17-12(14)18(11)15/h1-6H,15H2,(H2,14,17)
InChIKeyFQDFHMYRVHHMHK-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.16
Rot. Bonds1

About 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine

5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine (PubChem CID 113292704) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine
PubChem CID113292704
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine
SMILESNc1nnc(-c2ccc3cc(Br)ccc3c2)n1N
InChIInChI=1S/C12H10BrN5/c13-10-4-3-7-5-9(2-1-8(7)6-10)11-16-17-12(14)18(11)15/h1-6H,15H2,(H2,14,17)
InChIKeyFQDFHMYRVHHMHK-UHFFFAOYSA-N
XLogP2.16
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromo-4-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 81472362
2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
CID 136872415
2,6-dibromonaphthalene
CID 640591
1-(6-bromonaphthalen-2-yl)triazol-4-amine
CID 81260534
4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
CID 113292820
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
4-(7-bromonaphthalen-2-yl)pyridine
CID 141295896
3-amino-4-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-thione
CID 81260125
2-bromonaphthalene
CID 50940586
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 115353901
2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 129163447

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine (CID 113292704) is 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine is Nc1nnc(-c2ccc3cc(Br)ccc3c2)n1N.
What is the InChIKey of 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine?
The InChIKey is FQDFHMYRVHHMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-10-4-3-7-5-9(2-1-8(7)6-10)11-16-17-12(14)18(11)15/h1-6H,15H2,(H2,14,17).
What are the key properties of 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine?
5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine has a molecular weight of 304.15 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 113292704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).