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

C9H14N4O — CID 107044514

IUPAC2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
SMILESCn1nnc(CC2CCCCC2=O)n1
InChIInChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-7-4-2-3-5-8(7)14/h7H,2-6H2,1H3
InChIKeyIEHVWDFRQRORPG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.51
Rot. Bonds2

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

2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one (PubChem CID 107044514) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
PubChem CID107044514
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
SMILESCn1nnc(CC2CCCCC2=O)n1
InChIInChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-7-4-2-3-5-8(7)14/h7H,2-6H2,1H3
InChIKeyIEHVWDFRQRORPG-UHFFFAOYSA-N
XLogP0.51
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one (CID 107044514) is 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one is Cn1nnc(CC2CCCCC2=O)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
The InChIKey is IEHVWDFRQRORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-11-9(10-12-13)6-7-4-2-3-5-8(7)14/h7H,2-6H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one?
2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one has a molecular weight of 194.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 107044514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).