benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine

C82H140N22 — CID 160967771

IUPACbenzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnncn1.c1cnncn1.c1ncncn1
InChIInChI=1S/C6H12.C6H6.3C5H5N.5C4H4N2.3C3H3N3.13C2H6/c5*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;2*1-2-5-6-3-4-1;13*1-2/h1-6H2;1-6H;3*1-5H;5*1-4H;3*1-3H;13*1-2H3
InChIKeySXVSMJPYIWTQKA-UHFFFAOYSA-N
MW1434.18 g/mol
LogP22.61
Rot. Bonds

About benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine

benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine (PubChem CID 160967771) has the molecular formula C82H140N22 and a molecular weight of 1434.18 g/mol. Its IUPAC name is benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine.

Molecular Properties

Compound Namebenzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
PubChem CID160967771
Molecular FormulaC82H140N22
Molecular Weight1434.18 g/mol
Exact Mass1433.16
IUPAC Namebenzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnncn1.c1cnncn1.c1ncncn1
InChIInChI=1S/C6H12.C6H6.3C5H5N.5C4H4N2.3C3H3N3.13C2H6/c5*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;2*1-2-5-6-3-4-1;13*1-2/h1-6H2;1-6H;3*1-5H;5*1-4H;3*1-3H;13*1-2H3
InChIKeySXVSMJPYIWTQKA-UHFFFAOYSA-N
XLogP22.61
TPSA283.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001434.18
LogP ≤ 522.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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Related Compounds

ethane;pyrazine;pyridazine;pyridine;pyrimidine
CID 159887592
pyridine;1,2,4-triazine
CID 142352518
benzene;ethane;methane;naphthalene;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 158785660
benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158402451
ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
tetrakis(2,2-dimethylpropane);pyrazine;pyridazine;pyridine;pyrimidine
CID 158173067
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
pyrazine;pyridine;pyrimidine
CID 19013313
4H-pyran;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 159972476
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine?
The IUPAC name of benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine (CID 160967771) is benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine.
What is the SMILES notation for benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine?
The canonical SMILES for benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine is C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnncn1.c1cnncn1.c1ncncn1.
What is the InChIKey of benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine?
The InChIKey is SXVSMJPYIWTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.3C5H5N.5C4H4N2.3C3H3N3.13C2H6/c5*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;2*1-2-5-6-3-4-1;13*1-2/h1-6H2;1-6H;3*1-5H;5*1-4H;3*1-3H;13*1-2H3.
What are the key properties of benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine?
benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine has a molecular weight of 1434.18 g/mol, XLogP of 22.61, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine is sourced from PubChem (CID 160967771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).