4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine

C25H26N10O — CID 159972476

IUPAC4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
SMILESC1=COC=CC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C5H5N.C5H6O.3C4H4N2.C3H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1/h1-5H;2-5H,1H2;3*1-4H;1-3H
InChIKeyOESNAKFAXMAYDL-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.82
Rot. Bonds

About 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine

4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (PubChem CID 159972476) has the molecular formula C25H26N10O and a molecular weight of 482.55 g/mol. Its IUPAC name is 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine.

Molecular Properties

Compound Name4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
PubChem CID159972476
Molecular FormulaC25H26N10O
Molecular Weight482.55 g/mol
Exact Mass482.23
IUPAC Name4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
SMILESC1=COC=CC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C5H5N.C5H6O.3C4H4N2.C3H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1/h1-5H;2-5H,1H2;3*1-4H;1-3H
InChIKeyOESNAKFAXMAYDL-UHFFFAOYSA-N
XLogP3.82
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

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pyrazine;bis(pyridine)
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Frequently Asked Questions

What is the IUPAC name of 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The IUPAC name of 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (CID 159972476) is 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine.
What is the SMILES notation for 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The canonical SMILES for 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is C1=COC=CC1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1.
What is the InChIKey of 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The InChIKey is OESNAKFAXMAYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H6O.3C4H4N2.C3H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1/h1-5H;2-5H,1H2;3*1-4H;1-3H.
What are the key properties of 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine has a molecular weight of 482.55 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is sourced from PubChem (CID 159972476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).