(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine

C10H9BrF2N4 — CID 106462222

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C10H9BrF2N4/c1-17-9(10(11)15-16-17)8(14)5-2-6(12)4-7(13)3-5/h2-4,8H,14H2,1H3
InChIKeyQTBNQSDAYWKHOW-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.90
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine (PubChem CID 106462222) has the molecular formula C10H9BrF2N4 and a molecular weight of 303.11 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
PubChem CID106462222
Molecular FormulaC10H9BrF2N4
Molecular Weight303.11 g/mol
Exact Mass302.00
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
SMILESCn1nnc(Br)c1C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C10H9BrF2N4/c1-17-9(10(11)15-16-17)8(14)5-2-6(12)4-7(13)3-5/h2-4,8H,14H2,1H3
InChIKeyQTBNQSDAYWKHOW-UHFFFAOYSA-N
XLogP1.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 106464908
N-[(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 106462224
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
CID 106462182
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(5-bromo-3-methyltriazol-4-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 106464845
(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)-(3,5-difluorophenyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine (CID 106462222) is (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine is Cn1nnc(Br)c1C(N)c1cc(F)cc(F)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine?
The InChIKey is QTBNQSDAYWKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N4/c1-17-9(10(11)15-16-17)8(14)5-2-6(12)4-7(13)3-5/h2-4,8H,14H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine has a molecular weight of 303.11 g/mol, XLogP of 1.90, 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)-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 106462222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).