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

C15H21N7O — CID 112944839

IUPACN-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nncc(NCCN(C)C)n2)cc1
InChIInChI=1S/C15H21N7O/c1-11(23)18-12-4-6-13(7-5-12)19-15-20-14(10-17-21-15)16-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H2,16,19,20,21)
InChIKeyGQXHZXAPLBFUBB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.55
Rot. Bonds7

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

N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112944839) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112944839
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nncc(NCCN(C)C)n2)cc1
InChIInChI=1S/C15H21N7O/c1-11(23)18-12-4-6-13(7-5-12)19-15-20-14(10-17-21-15)16-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H2,16,19,20,21)
InChIKeyGQXHZXAPLBFUBB-UHFFFAOYSA-N
XLogP1.55
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

methyl 4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]benzoate
CID 112944842
N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112940016
3-N-(4-chlorophenyl)-5-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944811
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112912891
N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962206
N-[4-[[3-[4-(diethylamino)anilino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968550
N-[4-[[5-[4-(diethylamino)anilino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968581
3-N-(3,4-dichlorophenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945576
N-[4-[[5-[(2-fluorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112949650
N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211
N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968571

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112944839) is N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nncc(NCCN(C)C)n2)cc1.
What is the InChIKey of N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is GQXHZXAPLBFUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-11(23)18-12-4-6-13(7-5-12)19-15-20-14(10-17-21-15)16-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H2,16,19,20,21).
What are the key properties of N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112944839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).