1-(1-cyclohexyltetrazol-5-yl)propan-2-one

C10H16N4O — CID 134976072

IUPAC1-(1-cyclohexyltetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C10H16N4O/c1-8(15)7-10-11-12-13-14(10)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyODTZGGKQZRCREG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.31
Rot. Bonds3

About 1-(1-cyclohexyltetrazol-5-yl)propan-2-one

1-(1-cyclohexyltetrazol-5-yl)propan-2-one (PubChem CID 134976072) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)propan-2-one
PubChem CID134976072
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C10H16N4O/c1-8(15)7-10-11-12-13-14(10)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyODTZGGKQZRCREG-UHFFFAOYSA-N
XLogP1.31
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)propan-2-one (CID 134976072) is 1-(1-cyclohexyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)propan-2-one is CC(=O)Cc1nnnn1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)propan-2-one?
The InChIKey is ODTZGGKQZRCREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8(15)7-10-11-12-13-14(10)9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)propan-2-one?
1-(1-cyclohexyltetrazol-5-yl)propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 134976072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).