N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C17H23N7 — CID 800821

IUPACN-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCC3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C17H23N7/c1-2-6-14(7-3-1)19-15-20-16(23-10-4-5-11-23)22-17(21-15)24-12-8-18-9-13-24/h1-3,6-7,18H,4-5,8-13H2,(H,19,20,21,22)
InChIKeyPEFCLWGGUHBYMG-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.62
Rot. Bonds4

About N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 800821) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID800821
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC NameN-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCC3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C17H23N7/c1-2-6-14(7-3-1)19-15-20-16(23-10-4-5-11-23)22-17(21-15)24-12-8-18-9-13-24/h1-3,6-7,18H,4-5,8-13H2,(H,19,20,21,22)
InChIKeyPEFCLWGGUHBYMG-UHFFFAOYSA-N
XLogP1.62
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 800821) is N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCCC3)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PEFCLWGGUHBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-2-6-14(7-3-1)19-15-20-16(23-10-4-5-11-23)22-17(21-15)24-12-8-18-9-13-24/h1-3,6-7,18H,4-5,8-13H2,(H,19,20,21,22).
What are the key properties of N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-piperazin-1-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 800821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).