1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride

C10H12BrClN4 — CID 91647808

IUPAC1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cn(-c2cccc(Br)c2)nn1.Cl
InChIInChI=1S/C10H11BrN4.ClH/c1-12-6-9-7-15(14-13-9)10-4-2-3-8(11)5-10;/h2-5,7,12H,6H2,1H3;1H
InChIKeyMYUIINBCWICOIE-UHFFFAOYSA-N
MW303.59 g/mol
LogP2.17
Rot. Bonds3

About 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride

1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 91647808) has the molecular formula C10H12BrClN4 and a molecular weight of 303.59 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID91647808
Molecular FormulaC10H12BrClN4
Molecular Weight303.59 g/mol
Exact Mass301.99
IUPAC Name1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cn(-c2cccc(Br)c2)nn1.Cl
InChIInChI=1S/C10H11BrN4.ClH/c1-12-6-9-7-15(14-13-9)10-4-2-3-8(11)5-10;/h2-5,7,12H,6H2,1H3;1H
InChIKeyMYUIINBCWICOIE-UHFFFAOYSA-N
XLogP2.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride (CID 91647808) is 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride is CNCc1cn(-c2cccc(Br)c2)nn1.Cl.
What is the InChIKey of 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is MYUIINBCWICOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4.ClH/c1-12-6-9-7-15(14-13-9)10-4-2-3-8(11)5-10;/h2-5,7,12H,6H2,1H3;1H.
What are the key properties of 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 303.59 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 91647808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).