pyrimidine;thiadiazole;triazine

C9H9N7S — CID 67644064

IUPACpyrimidine;thiadiazole;triazine
SMILESc1cncnc1.c1cnnnc1.c1csnn1
InChIInChI=1S/C4H4N2.C3H3N3.C2H2N2S/c1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-4-3-1/h1-4H;1-3H;1-2H
InChIKeyADSAERVDPVLCJG-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.89
Rot. Bonds

About pyrimidine;thiadiazole;triazine

pyrimidine;thiadiazole;triazine (PubChem CID 67644064) has the molecular formula C9H9N7S and a molecular weight of 247.29 g/mol. Its IUPAC name is pyrimidine;thiadiazole;triazine.

Molecular Properties

Compound Namepyrimidine;thiadiazole;triazine
PubChem CID67644064
Molecular FormulaC9H9N7S
Molecular Weight247.29 g/mol
Exact Mass247.06
IUPAC Namepyrimidine;thiadiazole;triazine
SMILESc1cncnc1.c1cnnnc1.c1csnn1
InChIInChI=1S/C4H4N2.C3H3N3.C2H2N2S/c1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-4-3-1/h1-4H;1-3H;1-2H
InChIKeyADSAERVDPVLCJG-UHFFFAOYSA-N
XLogP0.89
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyrimidine;thiadiazole;triazine?
The IUPAC name of pyrimidine;thiadiazole;triazine (CID 67644064) is pyrimidine;thiadiazole;triazine.
What is the SMILES notation for pyrimidine;thiadiazole;triazine?
The canonical SMILES for pyrimidine;thiadiazole;triazine is c1cncnc1.c1cnnnc1.c1csnn1.
What is the InChIKey of pyrimidine;thiadiazole;triazine?
The InChIKey is ADSAERVDPVLCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H3N3.C2H2N2S/c1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-4-3-1/h1-4H;1-3H;1-2H.
What are the key properties of pyrimidine;thiadiazole;triazine?
pyrimidine;thiadiazole;triazine has a molecular weight of 247.29 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;thiadiazole;triazine is sourced from PubChem (CID 67644064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).