3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole

C6H7BrN6 — CID 131020410

IUPAC3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
SMILESCn1ncnc1Cn1cnc(Br)n1
InChIInChI=1S/C6H7BrN6/c1-12-5(8-3-10-12)2-13-4-9-6(7)11-13/h3-4H,2H2,1H3
InChIKeyZUDGQUYOQCNBFV-UHFFFAOYSA-N
MW243.07 g/mol
LogP0.22
Rot. Bonds2

About 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole

3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole (PubChem CID 131020410) has the molecular formula C6H7BrN6 and a molecular weight of 243.07 g/mol. Its IUPAC name is 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
PubChem CID131020410
Molecular FormulaC6H7BrN6
Molecular Weight243.07 g/mol
Exact Mass241.99
IUPAC Name3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
SMILESCn1ncnc1Cn1cnc(Br)n1
InChIInChI=1S/C6H7BrN6/c1-12-5(8-3-10-12)2-13-4-9-6(7)11-13/h3-4H,2H2,1H3
InChIKeyZUDGQUYOQCNBFV-UHFFFAOYSA-N
XLogP0.22
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
CID 114692637
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106718122
5-[2-(bromomethyl)butyl]-1-methyl-1,2,4-triazole
CID 66043454
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228558
1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
CID 115773752
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 65416998
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983420
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65417215
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
CID 171326440
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methyl-1,2,4-triazole
CID 80691588
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole (CID 131020410) is 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole is Cn1ncnc1Cn1cnc(Br)n1.
What is the InChIKey of 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
The InChIKey is ZUDGQUYOQCNBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN6/c1-12-5(8-3-10-12)2-13-4-9-6(7)11-13/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole has a molecular weight of 243.07 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 131020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).