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

C18H15N7O — CID 112968571

IUPACN-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cnnc(Nc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C18H15N7O/c1-12(26)21-14-6-8-15(9-7-14)22-17-11-20-25-18(24-17)23-16-4-2-13(10-19)3-5-16/h2-9,11H,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyUCVFUOJSSZEVQS-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.19
Rot. Bonds5

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

N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (PubChem CID 112968571) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
PubChem CID112968571
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cnnc(Nc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C18H15N7O/c1-12(26)21-14-6-8-15(9-7-14)22-17-11-20-25-18(24-17)23-16-4-2-13(10-19)3-5-16/h2-9,11H,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyUCVFUOJSSZEVQS-UHFFFAOYSA-N
XLogP3.19
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962206
4-[[3-(4-propan-2-ylanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112964893
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
4-[[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112967663
4-[[5-[4-(trifluoromethyl)anilino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112968264
4-[[5-(3-methylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962044
N-[4-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965949
4-[[5-(2,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112963206
4-[[5-[2,6-di(propan-2-yl)anilino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969331
N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (CID 112968571) is N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cnnc(Nc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The InChIKey is UCVFUOJSSZEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-12(26)21-14-6-8-15(9-7-14)22-17-11-20-25-18(24-17)23-16-4-2-13(10-19)3-5-16/h2-9,11H,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112968571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).