N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole

C33H30N12OS — CID 91486337

IUPACN,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
SMILESCCN(CC)c1ncc(C=c2c(C)nn3c(-c4ccccn4)nnc23)s1.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccco1
InChIInChI=1S/C18H19N7S.C15H11N5O/c1-4-24(5-2)18-20-11-13(26-18)10-14-12(3)23-25-16(14)21-22-17(25)15-8-6-7-9-19-15;1-10-12(9-11-5-4-8-21-11)14-17-18-15(20(14)19-10)13-6-2-3-7-16-13/h6-11H,4-5H2,1-3H3;2-9H,1H3
InChIKeyQEOKUXRAUVVUPI-UHFFFAOYSA-N
MW642.75 g/mol
LogP3.98
Rot. Bonds7

About N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole

N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole (PubChem CID 91486337) has the molecular formula C33H30N12OS and a molecular weight of 642.75 g/mol. Its IUPAC name is N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound NameN,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
PubChem CID91486337
Molecular FormulaC33H30N12OS
Molecular Weight642.75 g/mol
Exact Mass642.24
IUPAC NameN,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
SMILESCCN(CC)c1ncc(C=c2c(C)nn3c(-c4ccccn4)nnc23)s1.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccco1
InChIInChI=1S/C18H19N7S.C15H11N5O/c1-4-24(5-2)18-20-11-13(26-18)10-14-12(3)23-25-16(14)21-22-17(25)15-8-6-7-9-19-15;1-10-12(9-11-5-4-8-21-11)14-17-18-15(20(14)19-10)13-6-2-3-7-16-13/h6-11H,4-5H2,1-3H3;2-9H,1H3
InChIKeyQEOKUXRAUVVUPI-UHFFFAOYSA-N
XLogP3.98
TPSA141.21 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.75
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole with MolForge

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Related Compounds

6-[(E)-2-(furan-2-yl)ethenyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311816
3-(2-Methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163965
4-[[4-Methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 60276041
2,3-Dimethylfuran;1,2-dimethylimidazole;bis(4,5-dimethyl-1,3-oxazole);2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyl-1,2,4-triazole
CID 158078246
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 159707256
1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylfuran;2,3-dimethyl-4H-imidazol-3-ium;2,3-dimethylpyridine;4,5-dimethylpyrimidine;bis(4,5-dimethyl-3H-pyrrole);2,3-dimethylthiophene;1,5-dimethyl-1,2,4-triazole
CID 160531453
Ethane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 161124943
6-[2-(Furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4888305
1-[2,5-Dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8339714
6-[2-(2-Furyl)vinyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11842164
1-[2,5-Dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16368441
4-[[4-Methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 25308402

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole (CID 91486337) is N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole is CCN(CC)c1ncc(C=c2c(C)nn3c(-c4ccccn4)nnc23)s1.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccco1.
What is the InChIKey of N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is QEOKUXRAUVVUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S.C15H11N5O/c1-4-24(5-2)18-20-11-13(26-18)10-14-12(3)23-25-16(14)21-22-17(25)15-8-6-7-9-19-15;1-10-12(9-11-5-4-8-21-11)14-17-18-15(20(14)19-10)13-6-2-3-7-16-13/h6-11H,4-5H2,1-3H3;2-9H,1H3.
What are the key properties of N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?
N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 642.75 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]-1,3-thiazol-2-amine;7-(furan-2-ylmethylidene)-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 91486337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).