N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine

C24H20N6 — CID 70901598

IUPACN-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCc1ccccc1-c1cc(CNc2nncc(-c3cccc4ccccc34)n2)[nH]n1
InChIInChI=1S/C24H20N6/c1-16-7-2-4-10-19(16)22-13-18(28-29-22)14-25-24-27-23(15-26-30-24)21-12-6-9-17-8-3-5-11-20(17)21/h2-13,15H,14H2,1H3,(H,28,29)(H,25,27,30)
InChIKeyACEQVOVDGDPFDL-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.00
Rot. Bonds5

About N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine

N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine (PubChem CID 70901598) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
PubChem CID70901598
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC NameN-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
SMILESCc1ccccc1-c1cc(CNc2nncc(-c3cccc4ccccc34)n2)[nH]n1
InChIInChI=1S/C24H20N6/c1-16-7-2-4-10-19(16)22-13-18(28-29-22)14-25-24-27-23(15-26-30-24)21-12-6-9-17-8-3-5-11-20(17)21/h2-13,15H,14H2,1H3,(H,28,29)(H,25,27,30)
InChIKeyACEQVOVDGDPFDL-UHFFFAOYSA-N
XLogP5.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 68625783
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42402139
5-(2-cyclohexylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 46195453
1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
CID 45202050
5-(4-butoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 70901925
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42594644
5-(3-phenylmethoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 91429348
5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 70901793
N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 90864949
[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 70901603
5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
CID 118121632

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine (CID 70901598) is N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine is Cc1ccccc1-c1cc(CNc2nncc(-c3cccc4ccccc34)n2)[nH]n1.
What is the InChIKey of N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
The InChIKey is ACEQVOVDGDPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-16-7-2-4-10-19(16)22-13-18(28-29-22)14-25-24-27-23(15-26-30-24)21-12-6-9-17-8-3-5-11-20(17)21/h2-13,15H,14H2,1H3,(H,28,29)(H,25,27,30).
What are the key properties of N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine?
N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine has a molecular weight of 392.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 70901598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).