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

C9H15N5O — CID 57199729

IUPAC4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one
SMILESCC1NCCC1Cn1cnc(N)nc1=O
InChIInChI=1S/C9H15N5O/c1-6-7(2-3-11-6)4-14-5-12-8(10)13-9(14)15/h5-7,11H,2-4H2,1H3,(H2,10,13,15)
InChIKeyBYFZTGYCEMPJQX-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.78
Rot. Bonds2

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

4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one (PubChem CID 57199729) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one
PubChem CID57199729
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one
SMILESCC1NCCC1Cn1cnc(N)nc1=O
InChIInChI=1S/C9H15N5O/c1-6-7(2-3-11-6)4-14-5-12-8(10)13-9(14)15/h5-7,11H,2-4H2,1H3,(H2,10,13,15)
InChIKeyBYFZTGYCEMPJQX-UHFFFAOYSA-N
XLogP-0.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one (CID 57199729) is 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one is CC1NCCC1Cn1cnc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one?
The InChIKey is BYFZTGYCEMPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-7(2-3-11-6)4-14-5-12-8(10)13-9(14)15/h5-7,11H,2-4H2,1H3,(H2,10,13,15).
What are the key properties of 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one?
4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 57199729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).