7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine

C22H26N10 — CID 71111947

IUPAC7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine
SMILESCN1CCN(c2cnc3c(NCCCn4cncn4)nc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C22H26N10/c1-30-10-12-31(13-11-30)18-14-25-19-21(24-8-5-9-32-16-23-15-26-32)28-20(29-22(19)27-18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,24,27,28,29)
InChIKeyRNHZXCWUEBJJPH-UHFFFAOYSA-N
MW430.52 g/mol
LogP1.93
Rot. Bonds7

About 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine

7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine (PubChem CID 71111947) has the molecular formula C22H26N10 and a molecular weight of 430.52 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine
PubChem CID71111947
Molecular FormulaC22H26N10
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Name7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine
SMILESCN1CCN(c2cnc3c(NCCCn4cncn4)nc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C22H26N10/c1-30-10-12-31(13-11-30)18-14-25-19-21(24-8-5-9-32-16-23-15-26-32)28-20(29-22(19)27-18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,24,27,28,29)
InChIKeyRNHZXCWUEBJJPH-UHFFFAOYSA-N
XLogP1.93
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine (CID 71111947) is 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine is CN1CCN(c2cnc3c(NCCCn4cncn4)nc(-c4ccccc4)nc3n2)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine?
The InChIKey is RNHZXCWUEBJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10/c1-30-10-12-31(13-11-30)18-14-25-19-21(24-8-5-9-32-16-23-15-26-32)28-20(29-22(19)27-18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,24,27,28,29).
What are the key properties of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine?
7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine has a molecular weight of 430.52 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine is sourced from PubChem (CID 71111947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).