1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one

C10H16N4O — CID 121460282

IUPAC1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one
SMILESO=C(CCc1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C10H16N4O/c15-9(8-4-2-1-3-5-8)6-7-10-11-13-14-12-10/h8H,1-7H2,(H,11,12,13,14)
InChIKeyXZPMPJXKVQPRPE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.28
Rot. Bonds4

About 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one

1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one (PubChem CID 121460282) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one
PubChem CID121460282
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one
SMILESO=C(CCc1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C10H16N4O/c15-9(8-4-2-1-3-5-8)6-7-10-11-13-14-12-10/h8H,1-7H2,(H,11,12,13,14)
InChIKeyXZPMPJXKVQPRPE-UHFFFAOYSA-N
XLogP1.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one (CID 121460282) is 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one is O=C(CCc1nn[nH]n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one?
The InChIKey is XZPMPJXKVQPRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-9(8-4-2-1-3-5-8)6-7-10-11-13-14-12-10/h8H,1-7H2,(H,11,12,13,14).
What are the key properties of 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one?
1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2H-tetrazol-5-yl)propan-1-one is sourced from PubChem (CID 121460282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).