1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine

C9H11BrN4S — CID 62755279

IUPAC1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2ccc(Br)s2)nn1
InChIInChI=1S/C9H11BrN4S/c1-14-6-7(12-13-14)4-11-5-8-2-3-9(10)15-8/h2-3,6,11H,4-5H2,1H3
InChIKeyDAMPNLHMHAGELD-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.93
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine

1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine (PubChem CID 62755279) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
PubChem CID62755279
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2ccc(Br)s2)nn1
InChIInChI=1S/C9H11BrN4S/c1-14-6-7(12-13-14)4-11-5-8-2-3-9(10)15-8/h2-3,6,11H,4-5H2,1H3
InChIKeyDAMPNLHMHAGELD-UHFFFAOYSA-N
XLogP1.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine (CID 62755279) is 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine is Cn1cc(CNCc2ccc(Br)s2)nn1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is DAMPNLHMHAGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c1-14-6-7(12-13-14)4-11-5-8-2-3-9(10)15-8/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 287.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62755279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).