4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione

C15H20N4O2 — CID 79244748

IUPAC4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione
SMILESCCCNc1ccnc(Cn2[nH]c(=O)c(C)c(C)c2=O)c1
InChIInChI=1S/C15H20N4O2/c1-4-6-16-12-5-7-17-13(8-12)9-19-15(21)11(3)10(2)14(20)18-19/h5,7-8H,4,6,9H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyURUGATJUYFFBID-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.42
Rot. Bonds5

About 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione

4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 79244748) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione
PubChem CID79244748
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione
SMILESCCCNc1ccnc(Cn2[nH]c(=O)c(C)c(C)c2=O)c1
InChIInChI=1S/C15H20N4O2/c1-4-6-16-12-5-7-17-13(8-12)9-19-15(21)11(3)10(2)14(20)18-19/h5,7-8H,4,6,9H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyURUGATJUYFFBID-UHFFFAOYSA-N
XLogP1.42
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-6-methyl-3-[[4-(propylamino)-2-pyridinyl]methyl]pyrimidin-4-one
CID 79251061
N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251471
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251814
3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 79251550
1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione
CID 79941396
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643
2-[[butyl(ethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79244631
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione (CID 79244748) is 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione is CCCNc1ccnc(Cn2[nH]c(=O)c(C)c(C)c2=O)c1.
What is the InChIKey of 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
The InChIKey is URUGATJUYFFBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-6-16-12-5-7-17-13(8-12)9-19-15(21)11(3)10(2)14(20)18-19/h5,7-8H,4,6,9H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione?
4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 288.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 79244748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).