[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine

C10H11BrN4 — CID 106463197

IUPAC[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
SMILESCn1nnc(Br)c1-c1ccc(CN)cc1
InChIInChI=1S/C10H11BrN4/c1-15-9(10(11)13-14-15)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3
InChIKeyVMAXURCJMGDBPH-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.70
Rot. Bonds2

About [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine

[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine (PubChem CID 106463197) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
PubChem CID106463197
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
SMILESCn1nnc(Br)c1-c1ccc(CN)cc1
InChIInChI=1S/C10H11BrN4/c1-15-9(10(11)13-14-15)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3
InChIKeyVMAXURCJMGDBPH-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine (CID 106463197) is [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine is Cn1nnc(Br)c1-c1ccc(CN)cc1.
What is the InChIKey of [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine?
The InChIKey is VMAXURCJMGDBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-9(10(11)13-14-15)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3.
What are the key properties of [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine?
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 106463197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).