4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one

C17H25N7O — CID 137247989

IUPAC4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCCc1nnc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)nc1CC
InChIInChI=1S/C17H25N7O/c1-5-12-13(6-2)21-22-17(18-12)24-8-7-11(10-24)14-9-15(25)20-16(19-14)23(3)4/h9,11H,5-8,10H2,1-4H3,(H,19,20,25)
InChIKeyVSMAJHXOXUANDJ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.14
Rot. Bonds5

About 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one

4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 137247989) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID137247989
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCCc1nnc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)nc1CC
InChIInChI=1S/C17H25N7O/c1-5-12-13(6-2)21-22-17(18-12)24-8-7-11(10-24)14-9-15(25)20-16(19-14)23(3)4/h9,11H,5-8,10H2,1-4H3,(H,19,20,25)
InChIKeyVSMAJHXOXUANDJ-UHFFFAOYSA-N
XLogP1.14
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-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-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one (CID 137247989) is 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one is CCc1nnc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)nc1CC.
What is the InChIKey of 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is VSMAJHXOXUANDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-5-12-13(6-2)21-22-17(18-12)24-8-7-11(10-24)14-9-15(25)20-16(19-14)23(3)4/h9,11H,5-8,10H2,1-4H3,(H,19,20,25).
What are the key properties of 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one?
4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 343.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137247989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).