6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one

C13H15N5O — CID 135435599

IUPAC6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCCC2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C13H15N5O/c19-13-16-11(14-10-6-2-1-3-7-10)15-12(17-13)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16,17,19)
InChIKeyPCRSSMCKONDMHH-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.51
Rot. Bonds3

About 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one

6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one (PubChem CID 135435599) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one
PubChem CID135435599
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCCC2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C13H15N5O/c19-13-16-11(14-10-6-2-1-3-7-10)15-12(17-13)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16,17,19)
InChIKeyPCRSSMCKONDMHH-UHFFFAOYSA-N
XLogP1.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one (CID 135435599) is 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one is O=c1nc(N2CCCC2)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one?
The InChIKey is PCRSSMCKONDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13-16-11(14-10-6-2-1-3-7-10)15-12(17-13)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16,17,19).
What are the key properties of 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one?
6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-pyrrolidin-1-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135435599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).