4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one

C8H12N4O — CID 135085935

IUPAC4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one
SMILESO=C1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C8H12N4O/c13-7-3-1-6(2-4-7)5-8-9-11-12-10-8/h6H,1-5H2,(H,9,10,11,12)
InChIKeyPPFFQODRLFQVJA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.50
Rot. Bonds2

About 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one

4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one (PubChem CID 135085935) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one
PubChem CID135085935
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one
SMILESO=C1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C8H12N4O/c13-7-3-1-6(2-4-7)5-8-9-11-12-10-8/h6H,1-5H2,(H,9,10,11,12)
InChIKeyPPFFQODRLFQVJA-UHFFFAOYSA-N
XLogP0.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Tetrazolylacetyl)cyclohexane-1,3-dione
CID 156598361
1-[4-(2H-tetrazol-5-yl)cyclohexyl]propan-1-one
CID 118218378
1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone
CID 118221219
1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one
CID 121460282
4,4,6,6-tetramethyl-7-(2H-tetrazol-5-yl)heptan-2-one
CID 123665656
4-ethyl-4,6,6-trimethyl-7-(2H-tetrazol-5-yl)heptan-2-one
CID 123762078
4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one
CID 129162779
3-methyl-5-(2H-tetrazol-5-yl)hexan-2-one
CID 137418698
4-methyl-6-(2H-tetrazol-5-yl)heptan-3-one
CID 139446408
2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentan-1-one
CID 140461909
2-methyl-6-(2H-tetrazol-5-yl)hexan-3-one
CID 140917317
2,5,5,7,7-pentamethyl-8-(2H-tetrazol-5-yl)octan-3-one
CID 145132749

Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one?
The IUPAC name of 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one (CID 135085935) is 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one is O=C1CCC(Cc2nn[nH]n2)CC1.
What is the InChIKey of 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one?
The InChIKey is PPFFQODRLFQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-7-3-1-6(2-4-7)5-8-9-11-12-10-8/h6H,1-5H2,(H,9,10,11,12).
What are the key properties of 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one?
4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one has a molecular weight of 180.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 135085935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).