benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole

C250H361N59O2S2 — CID 160998774

IUPACbenzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole
SMILESC1=CCC=C1.C1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cnnn1.Cn1nnnn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnncn1.c1cnncn1.c1cnnnc1.c1cnnnc1.c1ncncn1
InChIInChI=1S/C10H8.2C9H7N.C9H8.7C8H6N2.C8H7N.C8H6O.C8H6S.C6H6.C5H5N.C5H6.3C4H4N2.C4H5N.C4H4O.C4H4S.6C3H3N3.2C3H4N2.C2H4N4.C2H3N3.32C2H6.CH3N5/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-6-3-4-1;2*1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-6-2-3-4-5-6;1-2-4-5-3-1;32*1-2;1-6-4-2-3-5-6/h1-8H;2*1-7H;1-6H,7H2;7*1-6H;1-6,9H;2*1-6H;1-6H;1-5H;1-4H,5H2;3*1-4H;1-5H;2*1-4H;6*1-3H;2*1-3H,(H,4,5);2H,1H3;1-2H,(H,3,4,5);32*1-2H3;1H3
InChIKeyTVOZMVGJHGKCMU-UHFFFAOYSA-N
MW4289.18 g/mol
LogP68.73
Rot. Bonds

About benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole

benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole (PubChem CID 160998774) has the molecular formula C250H361N59O2S2 and a molecular weight of 4289.18 g/mol. Its IUPAC name is benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole.

Molecular Properties

Compound Namebenzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole
PubChem CID160998774
Molecular FormulaC250H361N59O2S2
Molecular Weight4289.18 g/mol
Exact Mass4285.94
IUPAC Namebenzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole
SMILESC1=CCC=C1.C1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cnnn1.Cn1nnnn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnncn1.c1cnncn1.c1cnnnc1.c1cnnnc1.c1ncncn1
InChIInChI=1S/C10H8.2C9H7N.C9H8.7C8H6N2.C8H7N.C8H6O.C8H6S.C6H6.C5H5N.C5H6.3C4H4N2.C4H5N.C4H4O.C4H4S.6C3H3N3.2C3H4N2.C2H4N4.C2H3N3.32C2H6.CH3N5/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-6-3-4-1;2*1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-6-2-3-4-5-6;1-2-4-5-3-1;32*1-2;1-6-4-2-3-5-6/h1-8H;2*1-7H;1-6H,7H2;7*1-6H;1-6,9H;2*1-6H;1-6H;1-5H;1-4H,5H2;3*1-4H;1-5H;2*1-4H;6*1-3H;2*1-3H,(H,4,5);2H,1H3;1-2H,(H,3,4,5);32*1-2H3;1H3
InChIKeyTVOZMVGJHGKCMU-UHFFFAOYSA-N
XLogP68.73
TPSA785.37 Ų
H-Bond Donors5
H-Bond Acceptors58
Rotatable Bonds
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004289.18
LogP ≤ 568.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1058

Analyze benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole?
The IUPAC name of benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole (CID 160998774) is benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole.
What is the SMILES notation for benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole?
The canonical SMILES for benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole is C1=CCC=C1.C1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cnnn1.Cn1nnnn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnncn1.c1cnncn1.c1cnnnc1.c1cnnnc1.c1ncncn1.
What is the InChIKey of benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole?
The InChIKey is TVOZMVGJHGKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.C9H8.7C8H6N2.C8H7N.C8H6O.C8H6S.C6H6.C5H5N.C5H6.3C4H4N2.C4H5N.C4H4O.C4H4S.6C3H3N3.2C3H4N2.C2H4N4.C2H3N3.32C2H6.CH3N5/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-6-3-4-1;2*1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-6-2-3-4-5-6;1-2-4-5-3-1;32*1-2;1-6-4-2-3-5-6/h1-8H;2*1-7H;1-6H,7H2;7*1-6H;1-6,9H;2*1-6H;1-6H;1-5H;1-4H,5H2;3*1-4H;1-5H;2*1-4H;6*1-3H;2*1-3H,(H,4,5);2H,1H3;1-2H,(H,3,4,5);32*1-2H3;1H3.
What are the key properties of benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole?
benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole has a molecular weight of 4289.18 g/mol, XLogP of 68.73, 0 rotatable bonds, 5 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-benzofuran;1-benzothiophene;cinnoline;cyclopenta-1,3-diene;ethane;furan;1H-imidazole;1H-indene;1H-indole;isoquinoline;1-methylpentazole;1-methyltetrazole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene;bis(triazine);tris(1,2,4-triazine);1,3,5-triazine;2H-triazole is sourced from PubChem (CID 160998774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).