2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine

C16H24N8 — CID 166601016

IUPAC2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
SMILESc1cn(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)nn1
InChIInChI=1S/C16H24N8/c1-2-7-23(6-1)16-17-4-3-15(19-16)22-12-9-21(10-13-22)11-14-24-8-5-18-20-24/h3-5,8H,1-2,6-7,9-14H2
InChIKeyMPMAKJCIRKCPBO-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.49
Rot. Bonds5

About 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine

2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 166601016) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
PubChem CID166601016
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
SMILESc1cn(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)nn1
InChIInChI=1S/C16H24N8/c1-2-7-23(6-1)16-17-4-3-15(19-16)22-12-9-21(10-13-22)11-14-24-8-5-18-20-24/h3-5,8H,1-2,6-7,9-14H2
InChIKeyMPMAKJCIRKCPBO-UHFFFAOYSA-N
XLogP0.49
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine (CID 166601016) is 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine is c1cn(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)nn1.
What is the InChIKey of 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is MPMAKJCIRKCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8/c1-2-7-23(6-1)16-17-4-3-15(19-16)22-12-9-21(10-13-22)11-14-24-8-5-18-20-24/h3-5,8H,1-2,6-7,9-14H2.
What are the key properties of 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine?
2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 328.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 166601016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).