3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

C20H29N7O2 — CID 72853652

IUPAC3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESCN(C)Cc1nnc(C2CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)n1C1CC1
InChIInChI=1S/C20H29N7O2/c1-25(2)13-17-22-24-20(27(17)16-5-6-16)14-9-11-26(12-10-14)19(29)8-4-15-3-7-18(28)23-21-15/h3,7,14,16H,4-6,8-13H2,1-2H3,(H,23,28)
InChIKeyYDNFFCWUUNKEAB-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.10
Rot. Bonds7

About 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one (PubChem CID 72853652) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
PubChem CID72853652
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESCN(C)Cc1nnc(C2CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)n1C1CC1
InChIInChI=1S/C20H29N7O2/c1-25(2)13-17-22-24-20(27(17)16-5-6-16)14-9-11-26(12-10-14)19(29)8-4-15-3-7-18(28)23-21-15/h3,7,14,16H,4-6,8-13H2,1-2H3,(H,23,28)
InChIKeyYDNFFCWUUNKEAB-UHFFFAOYSA-N
XLogP1.10
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-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

Related Compounds

cyclopentyl-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70786110
[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70710150
1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70747237
3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70708975
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70737628
3-[3-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 164698532
3-[3-(1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl)-3-oxopropyl]-1H-pyridazin-6-one
CID 156603567
3-[3-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 155498935
[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70764406
3-[3-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 95561244
1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 70777917

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one (CID 72853652) is 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one is CN(C)Cc1nnc(C2CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)n1C1CC1.
What is the InChIKey of 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The InChIKey is YDNFFCWUUNKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-25(2)13-17-22-24-20(27(17)16-5-6-16)14-9-11-26(12-10-14)19(29)8-4-15-3-7-18(28)23-21-15/h3,7,14,16H,4-6,8-13H2,1-2H3,(H,23,28).
What are the key properties of 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one has a molecular weight of 399.50 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one is sourced from PubChem (CID 72853652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).