4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

C16H20N6O2 — CID 3751059

IUPAC4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1OC
InChIInChI=1S/C16H20N6O2/c1-10-19-20-16(12-8-18-21(2)15(12)17)22(10)9-11-5-6-13(23-3)14(7-11)24-4/h5-8H,9,17H2,1-4H3
InChIKeyWIJNSDULXKXETJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.63
Rot. Bonds5

About 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (PubChem CID 3751059) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
PubChem CID3751059
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1OC
InChIInChI=1S/C16H20N6O2/c1-10-19-20-16(12-8-18-21(2)15(12)17)22(10)9-11-5-6-13(23-3)14(7-11)24-4/h5-8H,9,17H2,1-4H3
InChIKeyWIJNSDULXKXETJ-UHFFFAOYSA-N
XLogP1.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ret-IN-3
CID 146018674
1-((3,4-dimethoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3154154
4-[4-(2-methoxybenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazol-5-amine
CID 1477771
3-(3,4-dimethoxyphenyl)-8-isopropyl-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine
CID 2768305
4-(4-Methoxyphenyl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 46205483
3-(3,4-dimethoxyphenyl)-5-N-[3-(dimethylamino)propyl]-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 156012274
4-[4-(4-methoxybenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazol-5-amine
CID 1472728
4-[4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazol-5-amine
CID 1481706
8-cyclopentyl-3-(3,4-dimethoxyphenyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine
CID 2768300
2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]ethyl methyl ether
CID 2768310
7-N-benzyl-2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 162658832
3-[(3,4-Dimethoxyphenyl)methyl]-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671233

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (CID 3751059) is 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is COc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1OC.
What is the InChIKey of 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is WIJNSDULXKXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-19-20-16(12-8-18-21(2)15(12)17)22(10)9-11-5-6-13(23-3)14(7-11)24-4/h5-8H,9,17H2,1-4H3.
What are the key properties of 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 328.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 3751059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).