4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one

C10H16N4O — CID 107044523

IUPAC4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(Cc2nnn(C)n2)C1
InChIInChI=1S/C10H16N4O/c1-7-3-4-9(15)8(5-7)6-10-11-13-14(2)12-10/h7-8H,3-6H2,1-2H3
InChIKeyJYWGBFIJFUGJSU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.76
Rot. Bonds2

About 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one

4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one (PubChem CID 107044523) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
PubChem CID107044523
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(Cc2nnn(C)n2)C1
InChIInChI=1S/C10H16N4O/c1-7-3-4-9(15)8(5-7)6-10-11-13-14(2)12-10/h7-8H,3-6H2,1-2H3
InChIKeyJYWGBFIJFUGJSU-UHFFFAOYSA-N
XLogP0.76
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one (CID 107044523) is 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one is CC1CCC(=O)C(Cc2nnn(C)n2)C1.
What is the InChIKey of 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The InChIKey is JYWGBFIJFUGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-3-4-9(15)8(5-7)6-10-11-13-14(2)12-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 107044523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).