3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

C15H21N7O3 — CID 970003

IUPAC3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21N7O3/c1-10(2)9-16-13-17-14(22-5-7-24-8-6-22)19-15(18-13)25-12-4-3-11(23)20-21-12/h3-4,10H,5-9H2,1-2H3,(H,20,23)(H,16,17,18,19)
InChIKeyHNPGUFASTQKDLV-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.65
Rot. Bonds6

About 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one

3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 970003) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID970003
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21N7O3/c1-10(2)9-16-13-17-14(22-5-7-24-8-6-22)19-15(18-13)25-12-4-3-11(23)20-21-12/h3-4,10H,5-9H2,1-2H3,(H,20,23)(H,16,17,18,19)
InChIKeyHNPGUFASTQKDLV-UHFFFAOYSA-N
XLogP0.65
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-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 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 970003) is 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is HNPGUFASTQKDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-10(2)9-16-13-17-14(22-5-7-24-8-6-22)19-15(18-13)25-12-4-3-11(23)20-21-12/h3-4,10H,5-9H2,1-2H3,(H,20,23)(H,16,17,18,19).
What are the key properties of 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 347.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 970003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).