4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole

C7H7Br2N5 — CID 104952375

IUPAC4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole
SMILESCn1cc(Cn2nc(Br)cc2Br)nn1
InChIInChI=1S/C7H7Br2N5/c1-13-3-5(10-12-13)4-14-7(9)2-6(8)11-14/h2-3H,4H2,1H3
InChIKeyGXVYPSJPMFWPPC-UHFFFAOYSA-N
MW320.98 g/mol
LogP1.58
Rot. Bonds2

About 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole

4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole (PubChem CID 104952375) has the molecular formula C7H7Br2N5 and a molecular weight of 320.98 g/mol. Its IUPAC name is 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole
PubChem CID104952375
Molecular FormulaC7H7Br2N5
Molecular Weight320.98 g/mol
Exact Mass318.91
IUPAC Name4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole
SMILESCn1cc(Cn2nc(Br)cc2Br)nn1
InChIInChI=1S/C7H7Br2N5/c1-13-3-5(10-12-13)4-14-7(9)2-6(8)11-14/h2-3H,4H2,1H3
InChIKeyGXVYPSJPMFWPPC-UHFFFAOYSA-N
XLogP1.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.98
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 107042795
5-bromo-1-[(1-methyltriazol-4-yl)methyl]pyrrole-3-carboxylic acid
CID 107043994
1-[3-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566901
4-[[5-(1-bromoethyl)triazol-1-yl]methyl]-1-methyltriazole
CID 130567324
5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
CID 114692637
3,5-dibromo-1-(3-methoxypropyl)pyrazole
CID 114692681
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde
CID 107045387
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-[(4,5-diiodoimidazol-1-yl)methyl]-1-methyltriazole
CID 130508270

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole?
The IUPAC name of 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole (CID 104952375) is 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole.
What is the SMILES notation for 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole?
The canonical SMILES for 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole is Cn1cc(Cn2nc(Br)cc2Br)nn1.
What is the InChIKey of 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole?
The InChIKey is GXVYPSJPMFWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N5/c1-13-3-5(10-12-13)4-14-7(9)2-6(8)11-14/h2-3H,4H2,1H3.
What are the key properties of 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole?
4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole has a molecular weight of 320.98 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole is sourced from PubChem (CID 104952375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).