5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine

C6H8BrN7 — CID 130591855

IUPAC5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1ncc(Cn2nc(N)nc2Br)n1
InChIInChI=1S/C6H8BrN7/c1-13-9-2-4(11-13)3-14-5(7)10-6(8)12-14/h2H,3H2,1H3,(H2,8,12)
InChIKeyUJNNYLOLEIRBSL-UHFFFAOYSA-N
MW258.08 g/mol
LogP-0.20
Rot. Bonds2

About 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine

5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 130591855) has the molecular formula C6H8BrN7 and a molecular weight of 258.08 g/mol. Its IUPAC name is 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID130591855
Molecular FormulaC6H8BrN7
Molecular Weight258.08 g/mol
Exact Mass257.00
IUPAC Name5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1ncc(Cn2nc(N)nc2Br)n1
InChIInChI=1S/C6H8BrN7/c1-13-9-2-4(11-13)3-14-5(7)10-6(8)12-14/h2H,3H2,1H3,(H2,8,12)
InChIKeyUJNNYLOLEIRBSL-UHFFFAOYSA-N
XLogP-0.20
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 168909727
1-[4-(1,2,4-Triazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 170026346
[5-[(3-Bromo-1,2,4-triazol-1-yl)methyl]-1-methylimidazol-2-yl]-oxidoazanium
CID 171762825
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 55073461
[1-[2-(3,5-Dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62446774
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62447374
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62447558
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62447559
[1-[2-(1,2,4-Triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62448120
[1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine
CID 65615800
[1-[(2-Propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine
CID 65620294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 130591855) is 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cn1ncc(Cn2nc(N)nc2Br)n1.
What is the InChIKey of 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is UJNNYLOLEIRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN7/c1-13-9-2-4(11-13)3-14-5(7)10-6(8)12-14/h2H,3H2,1H3,(H2,8,12).
What are the key properties of 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 258.08 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130591855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).