N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine

C21H22N6 — CID 42402139

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCCn1nc(C)c(CNc2nncc(-c3cccc4ccccc34)n2)c1C
InChIInChI=1S/C21H22N6/c1-4-27-15(3)19(14(2)26-27)12-22-21-24-20(13-23-25-21)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,13H,4,12H2,1-3H3,(H,22,24,25)
InChIKeyDVSZAYIRODGYIR-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.14
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine (PubChem CID 42402139) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
PubChem CID42402139
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCCn1nc(C)c(CNc2nncc(-c3cccc4ccccc34)n2)c1C
InChIInChI=1S/C21H22N6/c1-4-27-15(3)19(14(2)26-27)12-22-21-24-20(13-23-25-21)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,13H,4,12H2,1-3H3,(H,22,24,25)
InChIKeyDVSZAYIRODGYIR-UHFFFAOYSA-N
XLogP4.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
CID 25453907
N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 70901598
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42594644
1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
CID 45202050
3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one
CID 25292627
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide
CID 68563618
1-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)azepane
CID 42508182
5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86790632
2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine (CID 42402139) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine is CCn1nc(C)c(CNc2nncc(-c3cccc4ccccc34)n2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The InChIKey is DVSZAYIRODGYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-4-27-15(3)19(14(2)26-27)12-22-21-24-20(13-23-25-21)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,13H,4,12H2,1-3H3,(H,22,24,25).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine has a molecular weight of 358.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 42402139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).