ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole

C100H206N22O2S3 — CID 158829361

IUPACethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C1N=NN=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnsc1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/C8H7N.C5H5N.3C4H4N2.C4H5N.2C4H4O.C4H4S.2C3H4N2.2C3H3NS.C2H3N3.15C2H6.CH2N4.14CH4/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;15*1-2;1-2-4-5-3-1;;;;;;;;;;;;;;/h1-6,9H;1-5H;3*1-4H;1-5H;3*1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);15*1-2H3;1H2;14*1H4
InChIKeyIWVUVWWAJWGACR-UHFFFAOYSA-N
MW1845.10 g/mol
LogP37.99
Rot. Bonds

About ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole

ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole (PubChem CID 158829361) has the molecular formula C100H206N22O2S3 and a molecular weight of 1845.10 g/mol. Its IUPAC name is ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
PubChem CID158829361
Molecular FormulaC100H206N22O2S3
Molecular Weight1845.10 g/mol
Exact Mass1843.59
IUPAC Nameethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C1N=NN=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnsc1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/C8H7N.C5H5N.3C4H4N2.C4H5N.2C4H4O.C4H4S.2C3H4N2.2C3H3NS.C2H3N3.15C2H6.CH2N4.14CH4/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;15*1-2;1-2-4-5-3-1;;;;;;;;;;;;;;/h1-6,9H;1-5H;3*1-4H;1-5H;3*1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);15*1-2H3;1H2;14*1H4
InChIKeyIWVUVWWAJWGACR-UHFFFAOYSA-N
XLogP37.99
TPSA322.24 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.10
LogP ≤ 537.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole with MolForge

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Related Compounds

1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
2-N-(3H-benzimidazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(furan-2-ylmethyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 160035847
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 161612650
2,2-Difluoro-4-methyl-1,3-benzodioxole;1,6-dimethylpyrazolo[4,5-c]pyridine;7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylindazole;1-methylpyridin-2-one;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 162180057
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
1-(1H-benzimidazol-2-yl)-1-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-2-pyridin-2-yl-1-pyrimidin-2-yl-4-quinolin-2-yl-5-thiophen-2-yl-3H-1,3-thiazole
CID 141169766
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157107655
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;2H-triazole
CID 157108042
1H-benzimidazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
CID 157108289

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?
The IUPAC name of ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole (CID 158829361) is ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole.
What is the SMILES notation for ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?
The canonical SMILES for ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1N=NN=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnsc1.c1cscn1.c1nc[nH]n1.
What is the InChIKey of ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?
The InChIKey is IWVUVWWAJWGACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C5H5N.3C4H4N2.C4H5N.2C4H4O.C4H4S.2C3H4N2.2C3H3NS.C2H3N3.15C2H6.CH2N4.14CH4/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;15*1-2;1-2-4-5-3-1;;;;;;;;;;;;;;/h1-6,9H;1-5H;3*1-4H;1-5H;3*1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);15*1-2H3;1H2;14*1H4.
What are the key properties of ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole?
ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole has a molecular weight of 1845.10 g/mol, XLogP of 37.99, 0 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1H-imidazole;1H-indole;methane;pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole is sourced from PubChem (CID 158829361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).