3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine

C9H9N7 — CID 134824037

IUPAC3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nccn3n2)n1
InChIInChI=1S/C9H9N7/c1-6-5-7(2)16(13-6)9-12-11-8-10-3-4-15(8)14-9/h3-5H,1-2H3
InChIKeyDCRNICZGEZSVFZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.32
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine

3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine (PubChem CID 134824037) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine
PubChem CID134824037
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nccn3n2)n1
InChIInChI=1S/C9H9N7/c1-6-5-7(2)16(13-6)9-12-11-8-10-3-4-15(8)14-9/h3-5H,1-2H3
InChIKeyDCRNICZGEZSVFZ-UHFFFAOYSA-N
XLogP0.32
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
CID 24356
2-[2-(5-azetidin-1-yl-2-methyl-2H-[1,2,4]triazol-3-yl)-ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72704534
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
3,5,7-trimethyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CID 3238460
5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 165415449
5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 165415452
4,6-Bis(3,5-dimethyl-1H-pyrazole-1-yl)pyrimidine
CID 762995
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-yl-6-pyrazol-1-ylpyrimidin-4-amine
CID 72945321
3-(3,5-Dimethyl-pyrazol-1-yl)-6-isopropylmercaptoimidazo[1,2-b][1,2,4,5]-tetrazine
CID 135398218

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine (CID 134824037) is 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3nccn3n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine?
The InChIKey is DCRNICZGEZSVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-6-5-7(2)16(13-6)9-12-11-8-10-3-4-15(8)14-9/h3-5H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine?
3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine has a molecular weight of 215.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134824037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).