2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine

C12H19N5 — CID 141350780

IUPAC2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine
SMILESc1ncnc(N2CCCC2CN2CCCC2)n1
InChIInChI=1S/C12H19N5/c1-2-6-16(5-1)8-11-4-3-7-17(11)12-14-9-13-10-15-12/h9-11H,1-8H2
InChIKeyPHPIBTCJDRFODK-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.94
Rot. Bonds3

About 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine

2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine (PubChem CID 141350780) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine
PubChem CID141350780
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine
SMILESc1ncnc(N2CCCC2CN2CCCC2)n1
InChIInChI=1S/C12H19N5/c1-2-6-16(5-1)8-11-4-3-7-17(11)12-14-9-13-10-15-12/h9-11H,1-8H2
InChIKeyPHPIBTCJDRFODK-UHFFFAOYSA-N
XLogP0.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine (CID 141350780) is 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine is c1ncnc(N2CCCC2CN2CCCC2)n1.
What is the InChIKey of 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine?
The InChIKey is PHPIBTCJDRFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-6-16(5-1)8-11-4-3-7-17(11)12-14-9-13-10-15-12/h9-11H,1-8H2.
What are the key properties of 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine?
2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine has a molecular weight of 233.32 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 141350780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).