ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol

C16H17N5O — CID 171564502

IUPACethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol
SMILESCC.Cc1ccc(-c2nnc(-c3ccccc3O)nn2)nc1
InChIInChI=1S/C14H11N5O.C2H6/c1-9-6-7-11(15-8-9)14-18-16-13(17-19-14)10-4-2-3-5-12(10)20;1-2/h2-8,20H,1H3;1-2H3
InChIKeyARWAVEPRNWUGHN-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.04
Rot. Bonds2

About ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol

ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol (PubChem CID 171564502) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol.

Molecular Properties

Compound Nameethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol
PubChem CID171564502
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Nameethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol
SMILESCC.Cc1ccc(-c2nnc(-c3ccccc3O)nn2)nc1
InChIInChI=1S/C14H11N5O.C2H6/c1-9-6-7-11(15-8-9)14-18-16-13(17-19-14)10-4-2-3-5-12(10)20;1-2/h2-8,20H,1H3;1-2H3
InChIKeyARWAVEPRNWUGHN-UHFFFAOYSA-N
XLogP3.04
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol?
The IUPAC name of ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol (CID 171564502) is ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol.
What is the SMILES notation for ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol?
The canonical SMILES for ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol is CC.Cc1ccc(-c2nnc(-c3ccccc3O)nn2)nc1.
What is the InChIKey of ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol?
The InChIKey is ARWAVEPRNWUGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O.C2H6/c1-9-6-7-11(15-8-9)14-18-16-13(17-19-14)10-4-2-3-5-12(10)20;1-2/h2-8,20H,1H3;1-2H3.
What are the key properties of ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol?
ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol has a molecular weight of 295.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[6-(5-methyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]phenol is sourced from PubChem (CID 171564502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).