N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H27N5O — CID 42618205

IUPACN,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12
InChIInChI=1S/C20H27N5O/c1-8-24(9-2)20-22-15(6)21-19-18(14(5)23-25(19)20)16-10-11-17(26-7)13(4)12(16)3/h10-11H,8-9H2,1-7H3
InChIKeyLOLJENIHCLYQIF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.88
Rot. Bonds5

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

N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618205) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618205
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12
InChIInChI=1S/C20H27N5O/c1-8-24(9-2)20-22-15(6)21-19-18(14(5)23-25(19)20)16-10-11-17(26-7)13(4)12(16)3/h10-11H,8-9H2,1-7H3
InChIKeyLOLJENIHCLYQIF-UHFFFAOYSA-N
XLogP3.88
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618205) is N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12.
What is the InChIKey of N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LOLJENIHCLYQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-8-24(9-2)20-22-15(6)21-19-18(14(5)23-25(19)20)16-10-11-17(26-7)13(4)12(16)3/h10-11H,8-9H2,1-7H3.
What are the key properties of N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).