2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole

C6H8N6 — CID 135994965

IUPAC2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole
SMILESCc1[nH]ncc1-c1nnn(C)n1
InChIInChI=1S/C6H8N6/c1-4-5(3-7-8-4)6-9-11-12(2)10-6/h3H,1-2H3,(H,7,8)
InChIKeyBWFVURNBKVBZQI-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.09
Rot. Bonds1

About 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole

2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole (PubChem CID 135994965) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole
PubChem CID135994965
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole
SMILESCc1[nH]ncc1-c1nnn(C)n1
InChIInChI=1S/C6H8N6/c1-4-5(3-7-8-4)6-9-11-12(2)10-6/h3H,1-2H3,(H,7,8)
InChIKeyBWFVURNBKVBZQI-UHFFFAOYSA-N
XLogP-0.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole?
The IUPAC name of 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole (CID 135994965) is 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole.
What is the SMILES notation for 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole?
The canonical SMILES for 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole is Cc1[nH]ncc1-c1nnn(C)n1.
What is the InChIKey of 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole?
The InChIKey is BWFVURNBKVBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-4-5(3-7-8-4)6-9-11-12(2)10-6/h3H,1-2H3,(H,7,8).
What are the key properties of 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole?
2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole has a molecular weight of 164.17 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1H-pyrazol-4-yl)tetrazole is sourced from PubChem (CID 135994965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).