N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide

C19H23N7O2 — CID 98722548

IUPACN-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)CCN2CCN(c3ccc4nncn4n3)CC2)cc1
InChIInChI=1S/C19H23N7O2/c1-28-16-4-2-15(3-5-16)21-19(27)8-9-24-10-12-25(13-11-24)18-7-6-17-22-20-14-26(17)23-18/h2-7,14H,8-13H2,1H3,(H,21,27)
InChIKeyDMPGHLIUPPMROD-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.28
Rot. Bonds6

About N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide

N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide (PubChem CID 98722548) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
PubChem CID98722548
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)CCN2CCN(c3ccc4nncn4n3)CC2)cc1
InChIInChI=1S/C19H23N7O2/c1-28-16-4-2-15(3-5-16)21-19(27)8-9-24-10-12-25(13-11-24)18-7-6-17-22-20-14-26(17)23-18/h2-7,14H,8-13H2,1H3,(H,21,27)
InChIKeyDMPGHLIUPPMROD-UHFFFAOYSA-N
XLogP1.28
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903850
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532242
N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 136524117
6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 110288167
N-(4-methoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylsulfanyl)propanamide
CID 2028019
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide (CID 98722548) is N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide is COc1ccc(NC(=O)CCN2CCN(c3ccc4nncn4n3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
The InChIKey is DMPGHLIUPPMROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-28-16-4-2-15(3-5-16)21-19(27)8-9-24-10-12-25(13-11-24)18-7-6-17-22-20-14-26(17)23-18/h2-7,14H,8-13H2,1H3,(H,21,27).
What are the key properties of N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide has a molecular weight of 381.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 98722548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).