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

C8H11BrN4O — CID 130597665

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine
SMILESCn1nnc(Br)c1C(N)C1=COCC1
InChIInChI=1S/C8H11BrN4O/c1-13-7(8(9)11-12-13)6(10)5-2-3-14-4-5/h4,6H,2-3,10H2,1H3
InChIKeyRAYGETAUVLBJFM-UHFFFAOYSA-N
MW259.11 g/mol
LogP0.88
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine (PubChem CID 130597665) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine
PubChem CID130597665
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine
SMILESCn1nnc(Br)c1C(N)C1=COCC1
InChIInChI=1S/C8H11BrN4O/c1-13-7(8(9)11-12-13)6(10)5-2-3-14-4-5/h4,6H,2-3,10H2,1H3
InChIKeyRAYGETAUVLBJFM-UHFFFAOYSA-N
XLogP0.88
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 106464845
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 106464908
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine (CID 130597665) is (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine is Cn1nnc(Br)c1C(N)C1=COCC1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine?
The InChIKey is RAYGETAUVLBJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c1-13-7(8(9)11-12-13)6(10)5-2-3-14-4-5/h4,6H,2-3,10H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine has a molecular weight of 259.11 g/mol, XLogP of 0.88, 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)-(2,3-dihydrofuran-4-yl)methanamine is sourced from PubChem (CID 130597665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).