N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

C22H31N7O — CID 171390216

IUPACN-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(N)CC4)CC3)n2)cc1
InChIInChI=1S/C22H31N7O/c1-16-2-4-17(5-3-16)20-14-24-27-22(26-20)29-12-10-28(11-13-29)15-21(30)25-19-8-6-18(23)7-9-19/h2-5,14,18-19H,6-13,15,23H2,1H3,(H,25,30)
InChIKeyCDIPLWXTEVNDIT-UHFFFAOYSA-N
MW409.54 g/mol
LogP1.36
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (PubChem CID 171390216) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
PubChem CID171390216
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC NameN-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(N)CC4)CC3)n2)cc1
InChIInChI=1S/C22H31N7O/c1-16-2-4-17(5-3-16)20-14-24-27-22(26-20)29-12-10-28(11-13-29)15-21(30)25-19-8-6-18(23)7-9-19/h2-5,14,18-19H,6-13,15,23H2,1H3,(H,25,30)
InChIKeyCDIPLWXTEVNDIT-UHFFFAOYSA-N
XLogP1.36
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 168993833
ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate
CID 126578137
N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 177144404
2-[4-[[2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid
CID 126583011
N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 126567226
2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-[(2R)-2-hydroxybutanoyl]piperidin-4-yl]acetamide;dihydrochloride
CID 156698910
N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119477889
ethyl 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 25365828
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
ethyl 2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate
CID 177144475

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (CID 171390216) is N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(N)CC4)CC3)n2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is CDIPLWXTEVNDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-16-2-4-17(5-3-16)20-14-24-27-22(26-20)29-12-10-28(11-13-29)15-21(30)25-19-8-6-18(23)7-9-19/h2-5,14,18-19H,6-13,15,23H2,1H3,(H,25,30).
What are the key properties of N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 409.54 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 171390216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).