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

C18H21N7O — CID 136524117

IUPACN-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H21N7O/c1-14-4-2-3-5-15(14)20-18(26)12-23-8-10-24(11-9-23)17-7-6-16-21-19-13-25(16)22-17/h2-7,13H,8-12H2,1H3,(H,20,26)
InChIKeyKRTUASGFGZIKGR-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.19
Rot. Bonds4

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

N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide (PubChem CID 136524117) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
PubChem CID136524117
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H21N7O/c1-14-4-2-3-5-15(14)20-18(26)12-23-8-10-24(11-9-23)17-7-6-16-21-19-13-25(16)22-17/h2-7,13H,8-12H2,1H3,(H,20,26)
InChIKeyKRTUASGFGZIKGR-UHFFFAOYSA-N
XLogP1.19
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 98722548
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
N-(2-ethylphenyl)-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133488529
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide (CID 136524117) is N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide is Cc1ccccc1NC(=O)CN1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The InChIKey is KRTUASGFGZIKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-14-4-2-3-5-15(14)20-18(26)12-23-8-10-24(11-9-23)17-7-6-16-21-19-13-25(16)22-17/h2-7,13H,8-12H2,1H3,(H,20,26).
What are the key properties of N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136524117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).