7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine

C11H17BrN4 — CID 106464579

IUPAC7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
SMILESCn1nnc(Br)c1C(N)C1C2CCCCC21
InChIInChI=1S/C11H17BrN4/c1-16-10(11(12)14-15-16)9(13)8-6-4-2-3-5-7(6)8/h6-9H,2-5,13H2,1H3
InChIKeyAXNKZFQGKDCQDU-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.01
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine

7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine (PubChem CID 106464579) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
PubChem CID106464579
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
SMILESCn1nnc(Br)c1C(N)C1C2CCCCC21
InChIInChI=1S/C11H17BrN4/c1-16-10(11(12)14-15-16)9(13)8-6-4-2-3-5-7(6)8/h6-9H,2-5,13H2,1H3
InChIKeyAXNKZFQGKDCQDU-UHFFFAOYSA-N
XLogP2.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464960
(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine
CID 107005213
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine
CID 106462514
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
4-bromo-5-[fluoro(pyrrolidin-2-yl)methyl]-1-methyltriazole
CID 106640206
(5-bromo-3-methyltriazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164654571
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine (CID 106464579) is 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine is Cn1nnc(Br)c1C(N)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine?
The InChIKey is AXNKZFQGKDCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-16-10(11(12)14-15-16)9(13)8-6-4-2-3-5-7(6)8/h6-9H,2-5,13H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine?
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine has a molecular weight of 285.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 106464579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).