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

C11H18N4O — CID 107044525

IUPAC4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(Cc2nnn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-3-8-4-5-10(16)9(6-8)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyHPTPLRYJOVCAOT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds3

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

4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one (PubChem CID 107044525) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
PubChem CID107044525
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(Cc2nnn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-3-8-4-5-10(16)9(6-8)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyHPTPLRYJOVCAOT-UHFFFAOYSA-N
XLogP1.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 82870270
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one
CID 10241164
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
3-ethyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107042459
2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
CID 130548344
4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one
CID 63399215
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one (CID 107044525) is 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(Cc2nnn(C)n2)C1.
What is the InChIKey of 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The InChIKey is HPTPLRYJOVCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-8-4-5-10(16)9(6-8)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 107044525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).