(2R)-1-(tetrazol-1-yl)propan-2-ol

C4H8N4O — CID 130444903

IUPAC(2R)-1-(tetrazol-1-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnnn1
InChIInChI=1S/C4H8N4O/c1-4(9)2-8-3-5-6-7-8/h3-4,9H,2H2,1H3/t4-/m1/s1
InChIKeyNELKOKXJVLNJEI-SCSAIBSYSA-N
MW128.13 g/mol
LogP-0.95
Rot. Bonds2

About (2R)-1-(tetrazol-1-yl)propan-2-ol

(2R)-1-(tetrazol-1-yl)propan-2-ol (PubChem CID 130444903) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is (2R)-1-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tetrazol-1-yl)propan-2-ol
PubChem CID130444903
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name(2R)-1-(tetrazol-1-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnnn1
InChIInChI=1S/C4H8N4O/c1-4(9)2-8-3-5-6-7-8/h3-4,9H,2H2,1H3/t4-/m1/s1
InChIKeyNELKOKXJVLNJEI-SCSAIBSYSA-N
XLogP-0.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(tetrazol-1-yl)propan-2-ol (CID 130444903) is (2R)-1-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(tetrazol-1-yl)propan-2-ol is C[C@@H](O)Cn1cnnn1.
What is the InChIKey of (2R)-1-(tetrazol-1-yl)propan-2-ol?
The InChIKey is NELKOKXJVLNJEI-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-4(9)2-8-3-5-6-7-8/h3-4,9H,2H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-1-(tetrazol-1-yl)propan-2-ol?
(2R)-1-(tetrazol-1-yl)propan-2-ol has a molecular weight of 128.13 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 130444903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).