1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

C9H12N6O — CID 107063336

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1c(C(=O)Cc2nnn(C)n2)cnn1C
InChIInChI=1S/C9H12N6O/c1-6-7(5-10-14(6)2)8(16)4-9-11-13-15(3)12-9/h5H,4H2,1-3H3
InChIKeyOBOLKURLMIWZSB-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.32
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063336) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063336
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1c(C(=O)Cc2nnn(C)n2)cnn1C
InChIInChI=1S/C9H12N6O/c1-6-7(5-10-14(6)2)8(16)4-9-11-13-15(3)12-9/h5H,4H2,1-3H3
InChIKeyOBOLKURLMIWZSB-UHFFFAOYSA-N
XLogP-0.32
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063336) is 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cc1c(C(=O)Cc2nnn(C)n2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is OBOLKURLMIWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6-7(5-10-14(6)2)8(16)4-9-11-13-15(3)12-9/h5H,4H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 220.24 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).