3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol

C11H12N4O — CID 169409358

IUPAC3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol
SMILESOCCCc1nnc(-c2ccccc2)nn1
InChIInChI=1S/C11H12N4O/c16-8-4-7-10-12-14-11(15-13-10)9-5-2-1-3-6-9/h1-3,5-6,16H,4,7-8H2
InChIKeyVUPLYUUJVVPNTD-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.86
Rot. Bonds4

About 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol

3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol (PubChem CID 169409358) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol
PubChem CID169409358
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol
SMILESOCCCc1nnc(-c2ccccc2)nn1
InChIInChI=1S/C11H12N4O/c16-8-4-7-10-12-14-11(15-13-10)9-5-2-1-3-6-9/h1-3,5-6,16H,4,7-8H2
InChIKeyVUPLYUUJVVPNTD-UHFFFAOYSA-N
XLogP0.86
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol?
The IUPAC name of 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol (CID 169409358) is 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol is OCCCc1nnc(-c2ccccc2)nn1.
What is the InChIKey of 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol?
The InChIKey is VUPLYUUJVVPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-8-4-7-10-12-14-11(15-13-10)9-5-2-1-3-6-9/h1-3,5-6,16H,4,7-8H2.
What are the key properties of 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol?
3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol has a molecular weight of 216.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenyl-1,2,4,5-tetrazin-3-yl)propan-1-ol is sourced from PubChem (CID 169409358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).