6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine

C14H11BrN6 — CID 147859211

IUPAC6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
SMILES[H]/N=N/c1ncc(Br)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C14H11BrN6/c15-12-8-19-14(21-16)13(20-12)18-7-9-3-4-11-10(6-9)2-1-5-17-11/h1-6,8,16H,7H2,(H,18,20)/b21-16+
InChIKeyHWINFPQVQAIERP-LTGZKZEYSA-N
MW343.19 g/mol
LogP4.06
Rot. Bonds4

About 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine

6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine (PubChem CID 147859211) has the molecular formula C14H11BrN6 and a molecular weight of 343.19 g/mol. Its IUPAC name is 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
PubChem CID147859211
Molecular FormulaC14H11BrN6
Molecular Weight343.19 g/mol
Exact Mass342.02
IUPAC Name6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
SMILES[H]/N=N/c1ncc(Br)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C14H11BrN6/c15-12-8-19-14(21-16)13(20-12)18-7-9-3-4-11-10(6-9)2-1-5-17-11/h1-6,8,16H,7H2,(H,18,20)/b21-16+
InChIKeyHWINFPQVQAIERP-LTGZKZEYSA-N
XLogP4.06
TPSA86.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
CID 139321257
3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
CID 139321349
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine
CID 59341927
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
CID 155371997
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123969609

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine (CID 147859211) is 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine is [H]/N=N/c1ncc(Br)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine?
The InChIKey is HWINFPQVQAIERP-LTGZKZEYSA-N. The full InChI is InChI=1S/C14H11BrN6/c15-12-8-19-14(21-16)13(20-12)18-7-9-3-4-11-10(6-9)2-1-5-17-11/h1-6,8,16H,7H2,(H,18,20)/b21-16+.
What are the key properties of 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine?
6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine has a molecular weight of 343.19 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 147859211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).