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

C17H20N6O2 — CID 25278602

IUPAC5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N(C)Cc3cc(C)[nH]n3)n2)c(OC)c1
InChIInChI=1S/C17H20N6O2/c1-11-7-12(21-20-11)10-23(2)17-19-15(9-18-22-17)14-6-5-13(24-3)8-16(14)25-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyIGDUZAICMNGYOQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.22
Rot. Bonds6

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

5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 25278602) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID25278602
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N(C)Cc3cc(C)[nH]n3)n2)c(OC)c1
InChIInChI=1S/C17H20N6O2/c1-11-7-12(21-20-11)10-23(2)17-19-15(9-18-22-17)14-6-5-13(24-3)8-16(14)25-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyIGDUZAICMNGYOQ-UHFFFAOYSA-N
XLogP2.22
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 157011684
5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
CID 29150259
5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 42415404
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
CID 25369060
5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
CID 28955643
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[3-[4-[3-[3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl-methylamino]-1,2,4-triazin-5-yl]-2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]methyl]-1,2,4-triazin-3-amine
CID 90694900
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 26318638
[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]azanide
CID 161351760

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine (CID 25278602) is 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(N(C)Cc3cc(C)[nH]n3)n2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is IGDUZAICMNGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-7-12(21-20-11)10-23(2)17-19-15(9-18-22-17)14-6-5-13(24-3)8-16(14)25-4/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine?
5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 340.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 25278602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).