2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C22H26N8O — CID 23570355

IUPAC2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCN1CCN(Cc2cccc(CNc3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1
InChIInChI=1S/C22H26N8O/c1-28-7-9-29(10-8-28)15-17-5-2-4-16(12-17)14-24-19-13-20-26-21(18-6-3-11-31-18)27-30(20)22(23)25-19/h2-6,11-13,24H,7-10,14-15H2,1H3,(H2,23,25)
InChIKeyZUKCTDSXIOGRKL-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.33
Rot. Bonds6

About 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 23570355) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID23570355
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCN1CCN(Cc2cccc(CNc3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1
InChIInChI=1S/C22H26N8O/c1-28-7-9-29(10-8-28)15-17-5-2-4-16(12-17)14-24-19-13-20-26-21(18-6-3-11-31-18)27-30(20)22(23)25-19/h2-6,11-13,24H,7-10,14-15H2,1H3,(H2,23,25)
InChIKeyZUKCTDSXIOGRKL-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 23570355) is 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is CN1CCN(Cc2cccc(CNc3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.
What is the InChIKey of 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is ZUKCTDSXIOGRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-28-7-9-29(10-8-28)15-17-5-2-4-16(12-17)14-24-19-13-20-26-21(18-6-3-11-31-18)27-30(20)22(23)25-19/h2-6,11-13,24H,7-10,14-15H2,1H3,(H2,23,25).
What are the key properties of 2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 418.51 g/mol, XLogP of 2.33, 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-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 23570355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).