N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H27N5O3 — CID 42618174

IUPACN-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCC(COC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)
InChIKeyXOPNJTADGPQJEJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.80
Rot. Bonds8

About N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618174) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618174
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCC(COC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)
InChIKeyXOPNJTADGPQJEJ-UHFFFAOYSA-N
XLogP2.80
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618174) is N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCC(COC)Nc1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12.
What is the InChIKey of N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is XOPNJTADGPQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23).
What are the key properties of N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxypropan-2-yl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).