2-methyl-5-(1-methylpyrazol-4-yl)tetrazole

C6H8N6 — CID 22124222

IUPAC2-methyl-5-(1-methylpyrazol-4-yl)tetrazole
SMILESCn1cc(-c2nnn(C)n2)cn1
InChIInChI=1S/C6H8N6/c1-11-4-5(3-7-11)6-8-10-12(2)9-6/h3-4H,1-2H3
InChIKeyCAYHGXGBVWKOTO-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.39
Rot. Bonds1

About 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole

2-methyl-5-(1-methylpyrazol-4-yl)tetrazole (PubChem CID 22124222) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrazol-4-yl)tetrazole
PubChem CID22124222
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name2-methyl-5-(1-methylpyrazol-4-yl)tetrazole
SMILESCn1cc(-c2nnn(C)n2)cn1
InChIInChI=1S/C6H8N6/c1-11-4-5(3-7-11)6-8-10-12(2)9-6/h3-4H,1-2H3
InChIKeyCAYHGXGBVWKOTO-UHFFFAOYSA-N
XLogP-0.39
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole?
The IUPAC name of 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole (CID 22124222) is 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole?
The canonical SMILES for 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole is Cn1cc(-c2nnn(C)n2)cn1.
What is the InChIKey of 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole?
The InChIKey is CAYHGXGBVWKOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-11-4-5(3-7-11)6-8-10-12(2)9-6/h3-4H,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole?
2-methyl-5-(1-methylpyrazol-4-yl)tetrazole has a molecular weight of 164.17 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 22124222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).