N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide

C17H23N7O — CID 112946430

IUPACN-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCCN1CCN(c2nncc(Nc3ccc(NC(C)=O)cc3)n2)CC1
InChIInChI=1S/C17H23N7O/c1-3-23-8-10-24(11-9-23)17-21-16(12-18-22-17)20-15-6-4-14(5-7-15)19-13(2)25/h4-7,12H,3,8-11H2,1-2H3,(H,19,25)(H,20,21,22)
InChIKeyKYDKRBSRLCXOHE-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.72
Rot. Bonds5

About N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide

N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (PubChem CID 112946430) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
PubChem CID112946430
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCCN1CCN(c2nncc(Nc3ccc(NC(C)=O)cc3)n2)CC1
InChIInChI=1S/C17H23N7O/c1-3-23-8-10-24(11-9-23)17-21-16(12-18-22-17)20-15-6-4-14(5-7-15)19-13(2)25/h4-7,12H,3,8-11H2,1-2H3,(H,19,25)(H,20,21,22)
InChIKeyKYDKRBSRLCXOHE-UHFFFAOYSA-N
XLogP1.72
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112946426
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946453
3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 112946446
N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
CID 112941370
methyl 2-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112946431
1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
CID 112942131
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946460
ethyl 4-[5-(4-chloroanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957135
ethyl 4-[5-(4-methoxycarbonylanilino)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957164
1-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955716
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
ethyl 4-[5-[4-(trifluoromethyl)anilino]-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 112957157

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (CID 112946430) is N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is CCN1CCN(c2nncc(Nc3ccc(NC(C)=O)cc3)n2)CC1.
What is the InChIKey of N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The InChIKey is KYDKRBSRLCXOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-3-23-8-10-24(11-9-23)17-21-16(12-18-22-17)20-15-6-4-14(5-7-15)19-13(2)25/h4-7,12H,3,8-11H2,1-2H3,(H,19,25)(H,20,21,22).
What are the key properties of N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112946430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).