1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H11N5O — CID 107047405

IUPAC1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1cnccc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C10H11N5O/c1-7-6-11-4-3-8(7)9(16)5-10-12-14-15(2)13-10/h3-4,6H,5H2,1-2H3
InChIKeyQOZJEKJBRLSFPV-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.34
Rot. Bonds3

About 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047405) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047405
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCc1cnccc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C10H11N5O/c1-7-6-11-4-3-8(7)9(16)5-10-12-14-15(2)13-10/h3-4,6H,5H2,1-2H3
InChIKeyQOZJEKJBRLSFPV-UHFFFAOYSA-N
XLogP0.34
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(5-bromo-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063415
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047405) is 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone is Cc1cnccc1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is QOZJEKJBRLSFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-6-11-4-3-8(7)9(16)5-10-12-14-15(2)13-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 217.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).