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

C17H22N6O — CID 42618231

IUPACN-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C17H22N6O/c1-7-22(5)17-20-12(4)19-16-15(11(3)21-23(16)17)13-8-9-14(24-6)18-10(13)2/h8-9H,7H2,1-6H3
InChIKeyCKXYYCLFMSXQGO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds4

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

N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618231) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618231
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C17H22N6O/c1-7-22(5)17-20-12(4)19-16-15(11(3)21-23(16)17)13-8-9-14(24-6)18-10(13)2/h8-9H,7H2,1-6H3
InChIKeyCKXYYCLFMSXQGO-UHFFFAOYSA-N
XLogP2.58
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618231) is N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(C)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is CKXYYCLFMSXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-7-22(5)17-20-12(4)19-16-15(11(3)21-23(16)17)13-8-9-14(24-6)18-10(13)2/h8-9H,7H2,1-6H3.
What are the key properties of N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(6-methoxy-2-methyl-3-pyridinyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).