(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine

C9H15BrN4 — CID 107005213

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCn1nnc(Br)c1C(N)C1CC1(C)C
InChIInChI=1S/C9H15BrN4/c1-9(2)4-5(9)6(11)7-8(10)12-13-14(7)3/h5-6H,4,11H2,1-3H3
InChIKeyATRUTHLAZHDZHZ-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.62
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107005213) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107005213
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCn1nnc(Br)c1C(N)C1CC1(C)C
InChIInChI=1S/C9H15BrN4/c1-9(2)4-5(9)6(11)7-8(10)12-13-14(7)3/h5-6H,4,11H2,1-3H3
InChIKeyATRUTHLAZHDZHZ-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine
CID 106462514
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464960
(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine
CID 131181790
[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 106466427
(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
CID 106465011
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine (CID 107005213) is (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine is Cn1nnc(Br)c1C(N)C1CC1(C)C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is ATRUTHLAZHDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-9(2)4-5(9)6(11)7-8(10)12-13-14(7)3/h5-6H,4,11H2,1-3H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 259.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107005213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).