3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one

C10H16N4O — CID 107054810

IUPAC3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one
SMILESCn1nnc(CC2CCCCC(=O)C2)n1
InChIInChI=1S/C10H16N4O/c1-14-12-10(11-13-14)7-8-4-2-3-5-9(15)6-8/h8H,2-7H2,1H3
InChIKeyAZQVBNOUBNUURA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one

3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one (PubChem CID 107054810) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one
PubChem CID107054810
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one
SMILESCn1nnc(CC2CCCCC(=O)C2)n1
InChIInChI=1S/C10H16N4O/c1-14-12-10(11-13-14)7-8-4-2-3-5-9(15)6-8/h8H,2-7H2,1H3
InChIKeyAZQVBNOUBNUURA-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one (CID 107054810) is 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one is Cn1nnc(CC2CCCCC(=O)C2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
The InChIKey is AZQVBNOUBNUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-12-10(11-13-14)7-8-4-2-3-5-9(15)6-8/h8H,2-7H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one is sourced from PubChem (CID 107054810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).