4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one

C12H15N5O — CID 57128477

IUPAC4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
SMILESCc1cccnc1Cn1cnc(N(C)C)nc1=O
InChIInChI=1S/C12H15N5O/c1-9-5-4-6-13-10(9)7-17-8-14-11(16(2)3)15-12(17)18/h4-6,8H,7H2,1-3H3
InChIKeyKXKGZSWOFFMXQZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.46
Rot. Bonds3

About 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one

4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one (PubChem CID 57128477) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
PubChem CID57128477
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
SMILESCc1cccnc1Cn1cnc(N(C)C)nc1=O
InChIInChI=1S/C12H15N5O/c1-9-5-4-6-13-10(9)7-17-8-14-11(16(2)3)15-12(17)18/h4-6,8H,7H2,1-3H3
InChIKeyKXKGZSWOFFMXQZ-UHFFFAOYSA-N
XLogP0.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one (CID 57128477) is 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one is Cc1cccnc1Cn1cnc(N(C)C)nc1=O.
What is the InChIKey of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The InChIKey is KXKGZSWOFFMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-5-4-6-13-10(9)7-17-8-14-11(16(2)3)15-12(17)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one has a molecular weight of 245.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 57128477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).