5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole

C6H7BrN6 — CID 90028414

IUPAC5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole
SMILESCn1nnc(-c2cnn(C)c2Br)n1
InChIInChI=1S/C6H7BrN6/c1-12-5(7)4(3-8-12)6-9-11-13(2)10-6/h3H,1-2H3
InChIKeyWJPPLKCBTJJMRE-UHFFFAOYSA-N
MW243.07 g/mol
LogP0.37
Rot. Bonds1

About 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole

5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole (PubChem CID 90028414) has the molecular formula C6H7BrN6 and a molecular weight of 243.07 g/mol. Its IUPAC name is 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole
PubChem CID90028414
Molecular FormulaC6H7BrN6
Molecular Weight243.07 g/mol
Exact Mass241.99
IUPAC Name5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole
SMILESCn1nnc(-c2cnn(C)c2Br)n1
InChIInChI=1S/C6H7BrN6/c1-12-5(7)4(3-8-12)6-9-11-13(2)10-6/h3H,1-2H3
InChIKeyWJPPLKCBTJJMRE-UHFFFAOYSA-N
XLogP0.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole?
The IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole (CID 90028414) is 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole.
What is the SMILES notation for 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole?
The canonical SMILES for 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole is Cn1nnc(-c2cnn(C)c2Br)n1.
What is the InChIKey of 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole?
The InChIKey is WJPPLKCBTJJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN6/c1-12-5(7)4(3-8-12)6-9-11-13(2)10-6/h3H,1-2H3.
What are the key properties of 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole?
5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole has a molecular weight of 243.07 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-methylpyrazol-4-yl)-2-methyltetrazole is sourced from PubChem (CID 90028414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).