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

C15H20N6O — CID 112940016

IUPACN-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCCCCNc1cnnc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H20N6O/c1-3-4-9-16-14-10-17-21-15(20-14)19-13-7-5-12(6-8-13)18-11(2)22/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)(H2,16,19,20,21)
InChIKeyQDDURVDXQKCPLH-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.79
Rot. Bonds7

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

N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112940016) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112940016
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCCCCNc1cnnc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H20N6O/c1-3-4-9-16-14-10-17-21-15(20-14)19-13-7-5-12(6-8-13)18-11(2)22/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)(H2,16,19,20,21)
InChIKeyQDDURVDXQKCPLH-UHFFFAOYSA-N
XLogP2.79
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211
5-N-butyl-3-N-(4-tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939983
5-N-butyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939963
N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112944839
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
1-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112940209
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
N-[4-[[5-[(2-fluorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112949650
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
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-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112940016) is N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CCCCNc1cnnc(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is QDDURVDXQKCPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-4-9-16-14-10-17-21-15(20-14)19-13-7-5-12(6-8-13)18-11(2)22/h5-8,10H,3-4,9H2,1-2H3,(H,18,22)(H2,16,19,20,21).
What are the key properties of N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 300.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112940016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).