2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone

C7H8N6O — CID 130573080

IUPAC2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
SMILESCn1nnc(CC(=O)c2cn[nH]c2)n1
InChIInChI=1S/C7H8N6O/c1-13-11-7(10-12-13)2-6(14)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyCSTFGEQKWUWXKY-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.64
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone (PubChem CID 130573080) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
PubChem CID130573080
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
SMILESCn1nnc(CC(=O)c2cn[nH]c2)n1
InChIInChI=1S/C7H8N6O/c1-13-11-7(10-12-13)2-6(14)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,8,9)
InChIKeyCSTFGEQKWUWXKY-UHFFFAOYSA-N
XLogP-0.64
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107944902
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107063236

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone (CID 130573080) is 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone is Cn1nnc(CC(=O)c2cn[nH]c2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone?
The InChIKey is CSTFGEQKWUWXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-13-11-7(10-12-13)2-6(14)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone has a molecular weight of 192.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 130573080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).