(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine

C9H15BrN4S — CID 106465011

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
SMILESCn1nnc(Br)c1C(N)C1(C)CCCS1
InChIInChI=1S/C9H15BrN4S/c1-9(4-3-5-15-9)7(11)6-8(10)12-13-14(6)2/h7H,3-5,11H2,1-2H3
InChIKeyVYGWTOAMEKTKJG-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.86
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine (PubChem CID 106465011) has the molecular formula C9H15BrN4S and a molecular weight of 291.22 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
PubChem CID106465011
Molecular FormulaC9H15BrN4S
Molecular Weight291.22 g/mol
Exact Mass290.02
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
SMILESCn1nnc(Br)c1C(N)C1(C)CCCS1
InChIInChI=1S/C9H15BrN4S/c1-9(4-3-5-15-9)7(11)6-8(10)12-13-14(6)2/h7H,3-5,11H2,1-2H3
InChIKeyVYGWTOAMEKTKJG-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
CID 105186271
(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
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
(5-bromo-3-methyltriazol-4-yl)-(2-methyloxolan-2-yl)methanol
CID 106461915
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-bromo-3-methyltriazol-4-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
CID 114215947
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106462661
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine (CID 106465011) is (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine is Cn1nnc(Br)c1C(N)C1(C)CCCS1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine?
The InChIKey is VYGWTOAMEKTKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4S/c1-9(4-3-5-15-9)7(11)6-8(10)12-13-14(6)2/h7H,3-5,11H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine has a molecular weight of 291.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 106465011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).