4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one

C15H21N7O — CID 7541198

IUPAC4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(N3CCN(C)CC3)cc2)n(N)c1=O
InChIInChI=1S/C15H21N7O/c1-11-14(23)22(16)15(19-18-11)17-12-3-5-13(6-4-12)21-9-7-20(2)8-10-21/h3-6H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyZDPKJYCSGSAOPU-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one

4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one (PubChem CID 7541198) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one
PubChem CID7541198
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(N3CCN(C)CC3)cc2)n(N)c1=O
InChIInChI=1S/C15H21N7O/c1-11-14(23)22(16)15(19-18-11)17-12-3-5-13(6-4-12)21-9-7-20(2)8-10-21/h3-6H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyZDPKJYCSGSAOPU-UHFFFAOYSA-N
XLogP0.16
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
CID 113049859
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
CID 71143055
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one
CID 1498040
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydropyrimidin-2-amine
CID 123924900
3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618833

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one (CID 7541198) is 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one is Cc1nnc(Nc2ccc(N3CCN(C)CC3)cc2)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one?
The InChIKey is ZDPKJYCSGSAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-11-14(23)22(16)15(19-18-11)17-12-3-5-13(6-4-12)21-9-7-20(2)8-10-21/h3-6H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one?
4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one has a molecular weight of 315.38 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one is sourced from PubChem (CID 7541198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).