4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one

C9H14N4O — CID 165496636

IUPAC4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one
SMILESCC1CCC(=O)CC1c1nnn(C)n1
InChIInChI=1S/C9H14N4O/c1-6-3-4-7(14)5-8(6)9-10-12-13(2)11-9/h6,8H,3-5H2,1-2H3
InChIKeyZDEIMPYXZRQCGR-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.68
Rot. Bonds1

About 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one

4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one (PubChem CID 165496636) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one
PubChem CID165496636
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one
SMILESCC1CCC(=O)CC1c1nnn(C)n1
InChIInChI=1S/C9H14N4O/c1-6-3-4-7(14)5-8(6)9-10-12-13(2)11-9/h6,8H,3-5H2,1-2H3
InChIKeyZDEIMPYXZRQCGR-UHFFFAOYSA-N
XLogP0.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one?
The IUPAC name of 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one (CID 165496636) is 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one?
The canonical SMILES for 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one is CC1CCC(=O)CC1c1nnn(C)n1.
What is the InChIKey of 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one?
The InChIKey is ZDEIMPYXZRQCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-4-7(14)5-8(6)9-10-12-13(2)11-9/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one?
4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one has a molecular weight of 194.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyltetrazol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 165496636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).