[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine

C9H7Br3N4 — CID 62053597

IUPAC[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine
SMILESNCc1cn(-c2c(Br)cc(Br)cc2Br)nn1
InChIInChI=1S/C9H7Br3N4/c10-5-1-7(11)9(8(12)2-5)16-4-6(3-13)14-15-16/h1-2,4H,3,13H2
InChIKeyMCQJJJDQNMVSGN-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.01
Rot. Bonds2

About [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine

[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine (PubChem CID 62053597) has the molecular formula C9H7Br3N4 and a molecular weight of 410.90 g/mol. Its IUPAC name is [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine
PubChem CID62053597
Molecular FormulaC9H7Br3N4
Molecular Weight410.90 g/mol
Exact Mass407.82
IUPAC Name[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine
SMILESNCc1cn(-c2c(Br)cc(Br)cc2Br)nn1
InChIInChI=1S/C9H7Br3N4/c10-5-1-7(11)9(8(12)2-5)16-4-6(3-13)14-15-16/h1-2,4H,3,13H2
InChIKeyMCQJJJDQNMVSGN-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(2,4,6-tribromophenyl)triazole
CID 63489581
N-[[1-(2,4,6-tribromophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207291
1-(4-bromo-2,6-dichlorophenyl)-4-(chloromethyl)triazole
CID 62399680
[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832
4-(diethoxymethyl)-1-(2,4,6-tribromophenyl)triazole
CID 66214816
3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
CID 114209227
2-[1-(2-bromo-4-methyl-6-nitrophenyl)triazol-4-yl]ethanamine
CID 116813867
N-[[1-(2,6-dibromo-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206885
1-[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-N-methylmethanamine
CID 66205262
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
CID 116641627
3-[1-(2-bromo-4-methyl-6-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106220642

Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine (CID 62053597) is [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine is NCc1cn(-c2c(Br)cc(Br)cc2Br)nn1.
What is the InChIKey of [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine?
The InChIKey is MCQJJJDQNMVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3N4/c10-5-1-7(11)9(8(12)2-5)16-4-6(3-13)14-15-16/h1-2,4H,3,13H2.
What are the key properties of [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine?
[1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine has a molecular weight of 410.90 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-tribromophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62053597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).