ethane;pyrazine;pyridazine;pyridine;pyrimidine

C33H65N7 — CID 159887592

IUPACethane;pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.3C4H4N2.8C2H6/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;8*1-2/h1-5H;3*1-4H;8*1-2H3
InChIKeyNUIHVMSJQIECND-UHFFFAOYSA-N
MW559.93 g/mol
LogP10.72
Rot. Bonds

About ethane;pyrazine;pyridazine;pyridine;pyrimidine

ethane;pyrazine;pyridazine;pyridine;pyrimidine (PubChem CID 159887592) has the molecular formula C33H65N7 and a molecular weight of 559.93 g/mol. Its IUPAC name is ethane;pyrazine;pyridazine;pyridine;pyrimidine.

Molecular Properties

Compound Nameethane;pyrazine;pyridazine;pyridine;pyrimidine
PubChem CID159887592
Molecular FormulaC33H65N7
Molecular Weight559.93 g/mol
Exact Mass559.53
IUPAC Nameethane;pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H5N.3C4H4N2.8C2H6/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;8*1-2/h1-5H;3*1-4H;8*1-2H3
InChIKeyNUIHVMSJQIECND-UHFFFAOYSA-N
XLogP10.72
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.93
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

benzene;pyrazine;pyridazine;pyrimidine
CID 165080734
ethane;pyrazine;hexakis(pyridine);tris(pyrimidine)
CID 158901508
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CID 158173067
benzene;ethane;methane;hexakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158402451
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
pyrazine;pyridine;pyrimidine
CID 19013313
benzene;cyclohexane;ethane;pyrazine;pyridazine;tris(pyridine);bis(pyrimidine);bis(1,2,4-triazine);1,3,5-triazine
CID 160967771
tetrakis(2-methylpropane);pyrazine;bis(pyridine);pyrimidine
CID 169425697
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
decakis(2-methylpropane);pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 158595506
ethane;methane;tetrakis(2-methylpropane);pyridine;pyrimidine
CID 158907010

Frequently Asked Questions

What is the IUPAC name of ethane;pyrazine;pyridazine;pyridine;pyrimidine?
The IUPAC name of ethane;pyrazine;pyridazine;pyridine;pyrimidine (CID 159887592) is ethane;pyrazine;pyridazine;pyridine;pyrimidine.
What is the SMILES notation for ethane;pyrazine;pyridazine;pyridine;pyrimidine?
The canonical SMILES for ethane;pyrazine;pyridazine;pyridine;pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of ethane;pyrazine;pyridazine;pyridine;pyrimidine?
The InChIKey is NUIHVMSJQIECND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.8C2H6/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;8*1-2/h1-5H;3*1-4H;8*1-2H3.
What are the key properties of ethane;pyrazine;pyridazine;pyridine;pyrimidine?
ethane;pyrazine;pyridazine;pyridine;pyrimidine has a molecular weight of 559.93 g/mol, XLogP of 10.72, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrazine;pyridazine;pyridine;pyrimidine is sourced from PubChem (CID 159887592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).