(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol

C11H20N4O — CID 135060001

IUPAC(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1nnnn1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-8(2)10(16)11-12-13-14-15(11)9-6-4-3-5-7-9/h8-10,16H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyVSZQKZPNDWCMBK-JTQLQIEISA-N
MW224.31 g/mol
LogP1.87
Rot. Bonds3

About (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol

(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol (PubChem CID 135060001) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol
PubChem CID135060001
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1nnnn1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-8(2)10(16)11-12-13-14-15(11)9-6-4-3-5-7-9/h8-10,16H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyVSZQKZPNDWCMBK-JTQLQIEISA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol (CID 135060001) is (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol is CC(C)[C@H](O)c1nnnn1C1CCCCC1.
What is the InChIKey of (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is VSZQKZPNDWCMBK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)10(16)11-12-13-14-15(11)9-6-4-3-5-7-9/h8-10,16H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol?
(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 135060001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).