1-(2H-tetrazol-5-yl)propan-2-ol

C4H8N4O — CID 23359140

IUPAC1-(2H-tetrazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nn[nH]n1
InChIInChI=1S/C4H8N4O/c1-3(9)2-4-5-7-8-6-4/h3,9H,2H2,1H3,(H,5,6,7,8)
InChIKeyKFOBPTVHRXOQGO-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.88
Rot. Bonds2

About 1-(2H-tetrazol-5-yl)propan-2-ol

1-(2H-tetrazol-5-yl)propan-2-ol (PubChem CID 23359140) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)propan-2-ol
PubChem CID23359140
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name1-(2H-tetrazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nn[nH]n1
InChIInChI=1S/C4H8N4O/c1-3(9)2-4-5-7-8-6-4/h3,9H,2H2,1H3,(H,5,6,7,8)
InChIKeyKFOBPTVHRXOQGO-UHFFFAOYSA-N
XLogP-0.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2H-tetrazol-5-yl)propan-2-ol (CID 23359140) is 1-(2H-tetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2H-tetrazol-5-yl)propan-2-ol is CC(O)Cc1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)propan-2-ol?
The InChIKey is KFOBPTVHRXOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-3(9)2-4-5-7-8-6-4/h3,9H,2H2,1H3,(H,5,6,7,8).
What are the key properties of 1-(2H-tetrazol-5-yl)propan-2-ol?
1-(2H-tetrazol-5-yl)propan-2-ol has a molecular weight of 128.13 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 23359140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).