N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C18H24N6O — CID 42618218

IUPACN,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12
InChIInChI=1S/C18H24N6O/c1-7-23(8-2)18-21-13(5)20-17-16(12(4)22-24(17)18)14-10-19-15(25-6)9-11(14)3/h9-10H,7-8H2,1-6H3
InChIKeyYTZLEEJJGBEVHZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.97
Rot. Bonds5

About N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618218) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618218
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12
InChIInChI=1S/C18H24N6O/c1-7-23(8-2)18-21-13(5)20-17-16(12(4)22-24(17)18)14-10-19-15(25-6)9-11(14)3/h9-10H,7-8H2,1-6H3
InChIKeyYTZLEEJJGBEVHZ-UHFFFAOYSA-N
XLogP2.97
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618218) is N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12.
What is the InChIKey of N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is YTZLEEJJGBEVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-7-23(8-2)18-21-13(5)20-17-16(12(4)22-24(17)18)14-10-19-15(25-6)9-11(14)3/h9-10H,7-8H2,1-6H3.
What are the key properties of N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).