benzene;pyrazine;pyridazine;pyrimidine

C18H18N6 — CID 165080734

IUPACbenzene;pyrazine;pyridazine;pyrimidine
SMILESc1ccccc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C6H6.3C4H4N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-6H;3*1-4H
InChIKeyVBLMTJCRPXJTQB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.12
Rot. Bonds

About benzene;pyrazine;pyridazine;pyrimidine

benzene;pyrazine;pyridazine;pyrimidine (PubChem CID 165080734) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is benzene;pyrazine;pyridazine;pyrimidine.

Molecular Properties

Compound Namebenzene;pyrazine;pyridazine;pyrimidine
PubChem CID165080734
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Namebenzene;pyrazine;pyridazine;pyrimidine
SMILESc1ccccc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C6H6.3C4H4N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-6H;3*1-4H
InChIKeyVBLMTJCRPXJTQB-UHFFFAOYSA-N
XLogP3.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
pyrazine;pyridine;pyrimidine
CID 19013313
tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
CID 158173067
pyridine;1,2,4-triazine
CID 142352518
ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158402451
benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 160967771
pyrazine;bis(pyridine)
CID 159366306
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 159972476

Frequently Asked Questions

What is the IUPAC name of benzene;pyrazine;pyridazine;pyrimidine?
The IUPAC name of benzene;pyrazine;pyridazine;pyrimidine (CID 165080734) is benzene;pyrazine;pyridazine;pyrimidine.
What is the SMILES notation for benzene;pyrazine;pyridazine;pyrimidine?
The canonical SMILES for benzene;pyrazine;pyridazine;pyrimidine is c1ccccc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of benzene;pyrazine;pyridazine;pyrimidine?
The InChIKey is VBLMTJCRPXJTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3C4H4N2/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h1-6H;3*1-4H.
What are the key properties of benzene;pyrazine;pyridazine;pyrimidine?
benzene;pyrazine;pyridazine;pyrimidine has a molecular weight of 318.38 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;pyrazine;pyridazine;pyrimidine is sourced from PubChem (CID 165080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).