5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole

C6H8N6 — CID 534038

IUPAC5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole
SMILESCc1cc(C)n(-c2nn[nH]n2)n1
InChIInChI=1S/C6H8N6/c1-4-3-5(2)12(9-4)6-7-10-11-8-6/h3H,1-2H3,(H,7,8,10,11)
InChIKeyAASVQOULNCQDKJ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.00
Rot. Bonds1

About 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole

5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole (PubChem CID 534038) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole
PubChem CID534038
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole
SMILESCc1cc(C)n(-c2nn[nH]n2)n1
InChIInChI=1S/C6H8N6/c1-4-3-5(2)12(9-4)6-7-10-11-8-6/h3H,1-2H3,(H,7,8,10,11)
InChIKeyAASVQOULNCQDKJ-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethylpyrazole-1-carboxamidine monohydrochloride
CID 218002
N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazin-3-amine
CID 822855
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine hydrochloride
CID 2859124
3,5-Dimethylpyrazole-1-carboxamidine
CID 97525
3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine hydrochloride
CID 2858181
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
CID 577984
4-amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
CID 686806
1,2,4,5-Tetrazin-3-amine, 6-(3,5-dimethyl-1H-pyrazol-1-yl)-
CID 698500
3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2-dihydro-1,2,4,5-tetraazine
CID 780411
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
CID 601073
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydrazinyl-1,2,4,5-tetrazine
CID 10798309
3-(3,5-Dimethyl-1h-pyrazol-1-yl)-6-methoxy-1,2,4,5-tetrazine
CID 85772562

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole (CID 534038) is 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole is Cc1cc(C)n(-c2nn[nH]n2)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
The InChIKey is AASVQOULNCQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-4-3-5(2)12(9-4)6-7-10-11-8-6/h3H,1-2H3,(H,7,8,10,11).
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole has a molecular weight of 164.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole is sourced from PubChem (CID 534038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).