propane;1-(2-propyltetrazol-5-yl)propan-1-ol

C10H22N4O — CID 145288431

IUPACpropane;1-(2-propyltetrazol-5-yl)propan-1-ol
SMILESCCC.CCCn1nnc(C(O)CC)n1
InChIInChI=1S/C7H14N4O.C3H8/c1-3-5-11-9-7(8-10-11)6(12)4-2;1-3-2/h6,12H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyGFBMPFHWWMYMSP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.94
Rot. Bonds4

About propane;1-(2-propyltetrazol-5-yl)propan-1-ol

propane;1-(2-propyltetrazol-5-yl)propan-1-ol (PubChem CID 145288431) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is propane;1-(2-propyltetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Namepropane;1-(2-propyltetrazol-5-yl)propan-1-ol
PubChem CID145288431
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Namepropane;1-(2-propyltetrazol-5-yl)propan-1-ol
SMILESCCC.CCCn1nnc(C(O)CC)n1
InChIInChI=1S/C7H14N4O.C3H8/c1-3-5-11-9-7(8-10-11)6(12)4-2;1-3-2/h6,12H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyGFBMPFHWWMYMSP-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propane;1-(2-propyltetrazol-5-yl)propan-1-ol?
The IUPAC name of propane;1-(2-propyltetrazol-5-yl)propan-1-ol (CID 145288431) is propane;1-(2-propyltetrazol-5-yl)propan-1-ol.
What is the SMILES notation for propane;1-(2-propyltetrazol-5-yl)propan-1-ol?
The canonical SMILES for propane;1-(2-propyltetrazol-5-yl)propan-1-ol is CCC.CCCn1nnc(C(O)CC)n1.
What is the InChIKey of propane;1-(2-propyltetrazol-5-yl)propan-1-ol?
The InChIKey is GFBMPFHWWMYMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O.C3H8/c1-3-5-11-9-7(8-10-11)6(12)4-2;1-3-2/h6,12H,3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of propane;1-(2-propyltetrazol-5-yl)propan-1-ol?
propane;1-(2-propyltetrazol-5-yl)propan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1-(2-propyltetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 145288431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).