(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine

C9H9BrFN5 — CID 106464908

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1cncc(F)c1
InChIInChI=1S/C9H9BrFN5/c1-16-8(9(10)14-15-16)7(12)5-2-6(11)4-13-3-5/h2-4,7H,12H2,1H3
InChIKeyBUJPCHPUCPBOPI-UHFFFAOYSA-N
MW286.11 g/mol
LogP1.16
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 106464908) has the molecular formula C9H9BrFN5 and a molecular weight of 286.11 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID106464908
Molecular FormulaC9H9BrFN5
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1cncc(F)c1
InChIInChI=1S/C9H9BrFN5/c1-16-8(9(10)14-15-16)7(12)5-2-6(11)4-13-3-5/h2-4,7H,12H2,1H3
InChIKeyBUJPCHPUCPBOPI-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(5-bromo-3-methyltriazol-4-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 106464845
N-[(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 106462224
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
CID 106462182
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine (CID 106464908) is (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine is Cn1nnc(Br)c1C(N)c1cncc(F)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is BUJPCHPUCPBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN5/c1-16-8(9(10)14-15-16)7(12)5-2-6(11)4-13-3-5/h2-4,7H,12H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 286.11 g/mol, XLogP of 1.16, 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)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 106464908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).