2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C22H26N8O — CID 20770661

IUPAC2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCN(CCc1ccc(N2CCNCC2)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C22H26N8O/c1-28(11-8-16-4-6-17(7-5-16)29-12-9-24-10-13-29)19-15-20-25-21(18-3-2-14-31-18)27-30(20)22(23)26-19/h2-7,14-15,24H,8-13H2,1H3,(H2,23,26)
InChIKeyAWKIOYHQZQMMOE-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.06
Rot. Bonds6

About 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 20770661) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID20770661
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCN(CCc1ccc(N2CCNCC2)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C22H26N8O/c1-28(11-8-16-4-6-17(7-5-16)29-12-9-24-10-13-29)19-15-20-25-21(18-3-2-14-31-18)27-30(20)22(23)26-19/h2-7,14-15,24H,8-13H2,1H3,(H2,23,26)
InChIKeyAWKIOYHQZQMMOE-UHFFFAOYSA-N
XLogP2.06
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

7-(furan-2-yl)-2-piperazin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 69432521
methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol
CID 158442637
2-(furan-2-yl)-7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 16679244
2-(furan-2-yl)-7-N-methyl-7-N-[[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 11751869
7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[4-(2-phenylmethoxyethoxy)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 155272552
2-(furan-2-yl)-7-N-methyl-7-N-[[1-[(2,3,6-trifluorophenyl)methyl]piperidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 11351899
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
2-(furan-2-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002481
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 91186891
2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol
CID 12052555
5-(2-ethylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69432575
4-[4-[2-[[4-amino-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-methylamino]ethyl]piperazin-1-yl]benzenesulfonamide
CID 146467425

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 20770661) is 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is CN(CCc1ccc(N2CCNCC2)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1.
What is the InChIKey of 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is AWKIOYHQZQMMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-28(11-8-16-4-6-17(7-5-16)29-12-9-24-10-13-29)19-15-20-25-21(18-3-2-14-31-18)27-30(20)22(23)26-19/h2-7,14-15,24H,8-13H2,1H3,(H2,23,26).
What are the key properties of 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 418.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-N-methyl-7-N-[2-(4-piperazin-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 20770661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).