5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one

C10H15N5O — CID 114448549

IUPAC5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nnc(NCC2CCC(=O)N2)nc1C
InChIInChI=1S/C10H15N5O/c1-6-7(2)14-15-10(12-6)11-5-8-3-4-9(16)13-8/h8H,3-5H2,1-2H3,(H,13,16)(H,11,12,15)
InChIKeyFRJKGMJWAQICLE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.18
Rot. Bonds3

About 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one

5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 114448549) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
PubChem CID114448549
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nnc(NCC2CCC(=O)N2)nc1C
InChIInChI=1S/C10H15N5O/c1-6-7(2)14-15-10(12-6)11-5-8-3-4-9(16)13-8/h8H,3-5H2,1-2H3,(H,13,16)(H,11,12,15)
InChIKeyFRJKGMJWAQICLE-UHFFFAOYSA-N
XLogP0.18
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one (CID 114448549) is 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one is Cc1nnc(NCC2CCC(=O)N2)nc1C.
What is the InChIKey of 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is FRJKGMJWAQICLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6-7(2)14-15-10(12-6)11-5-8-3-4-9(16)13-8/h8H,3-5H2,1-2H3,(H,13,16)(H,11,12,15).
What are the key properties of 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one?
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 114448549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).