2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine

C8H12N4 — CID 175454634

IUPAC2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCC1CCCN1c1ncncn1
InChIInChI=1S/C8H12N4/c1-7-3-2-4-12(7)8-10-5-9-6-11-8/h5-7H,2-4H2,1H3
InChIKeyWZXIXEVEIAJLOY-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.86
Rot. Bonds1

About 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine

2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 175454634) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
PubChem CID175454634
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCC1CCCN1c1ncncn1
InChIInChI=1S/C8H12N4/c1-7-3-2-4-12(7)8-10-5-9-6-11-8/h5-7H,2-4H2,1H3
InChIKeyWZXIXEVEIAJLOY-UHFFFAOYSA-N
XLogP0.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine (CID 175454634) is 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine is CC1CCCN1c1ncncn1.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is WZXIXEVEIAJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-7-3-2-4-12(7)8-10-5-9-6-11-8/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 164.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 175454634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).