(2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

C20H23N7O — CID 75496852

IUPAC(2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESCc1nnc2ccc(N3CCN(C(=O)C4(N)Cc5ccccc5C4)CC3)nn12
InChIInChI=1S/C20H23N7O/c1-14-22-23-17-6-7-18(24-27(14)17)25-8-10-26(11-9-25)19(28)20(21)12-15-4-2-3-5-16(15)13-20/h2-7H,8-13,21H2,1H3
InChIKeyBHNGRMGASLYIFF-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.58
Rot. Bonds2

About (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

(2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (PubChem CID 75496852) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
PubChem CID75496852
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name(2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESCc1nnc2ccc(N3CCN(C(=O)C4(N)Cc5ccccc5C4)CC3)nn12
InChIInChI=1S/C20H23N7O/c1-14-22-23-17-6-7-18(24-27(14)17)25-8-10-26(11-9-25)19(28)20(21)12-15-4-2-3-5-16(15)13-20/h2-7H,8-13,21H2,1H3
InChIKeyBHNGRMGASLYIFF-UHFFFAOYSA-N
XLogP0.58
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,2R)-2-aminocyclopentyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 124696197
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
(3-fluorophenyl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 20878041
[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46326690
(4-fluorophenyl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801416
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
(2S)-2-(3,5-dimethylphenoxy)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propan-1-one
CID 51526576
ethyl 2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470322
3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975191
1-[4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 162386574
2-(2-bromophenyl)-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 154883789

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (CID 75496852) is (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is Cc1nnc2ccc(N3CCN(C(=O)C4(N)Cc5ccccc5C4)CC3)nn12.
What is the InChIKey of (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is BHNGRMGASLYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14-22-23-17-6-7-18(24-27(14)17)25-8-10-26(11-9-25)19(28)20(21)12-15-4-2-3-5-16(15)13-20/h2-7H,8-13,21H2,1H3.
What are the key properties of (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
(2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-dihydroinden-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75496852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).