5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole

C7H7Br2N5 — CID 114692637

IUPAC5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1Cn1nc(Br)cc1Br
InChIInChI=1S/C7H7Br2N5/c1-13-7(10-4-11-13)3-14-6(9)2-5(8)12-14/h2,4H,3H2,1H3
InChIKeyQVHUSTHIGHOWES-UHFFFAOYSA-N
MW320.98 g/mol
LogP1.58
Rot. Bonds2

About 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole

5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole (PubChem CID 114692637) has the molecular formula C7H7Br2N5 and a molecular weight of 320.98 g/mol. Its IUPAC name is 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
PubChem CID114692637
Molecular FormulaC7H7Br2N5
Molecular Weight320.98 g/mol
Exact Mass318.91
IUPAC Name5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1Cn1nc(Br)cc1Br
InChIInChI=1S/C7H7Br2N5/c1-13-7(10-4-11-13)3-14-6(9)2-5(8)12-14/h2,4H,3H2,1H3
InChIKeyQVHUSTHIGHOWES-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

3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
CID 131020410
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106718122
3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
CID 114692670
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
3,5-dibromo-1-(2-ethylsulfanylethyl)pyrazole
CID 114692732
2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
CID 114692675
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]-3,6-dihydro-2H-pyridine
CID 171326440
3,5-dibromo-1-(3-methoxypropyl)pyrazole
CID 114692681
4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
CID 114692746
3,5-dibromo-1-(3-methoxy-3-methylbutyl)pyrazole
CID 102975350

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole (CID 114692637) is 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole is Cn1ncnc1Cn1nc(Br)cc1Br.
What is the InChIKey of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole?
The InChIKey is QVHUSTHIGHOWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N5/c1-13-7(10-4-11-13)3-14-6(9)2-5(8)12-14/h2,4H,3H2,1H3.
What are the key properties of 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole?
5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole 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 5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 114692637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).