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

C20H28N6O — CID 42618226

IUPAC8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C20H28N6O/c1-7-11-25(12-8-2)20-23-15(5)22-19-18(14(4)24-26(19)20)16-9-10-17(27-6)21-13(16)3/h9-10H,7-8,11-12H2,1-6H3
InChIKeyXPHKPHLBNPVQLG-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.75
Rot. Bonds7

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

8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618226) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618226
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C20H28N6O/c1-7-11-25(12-8-2)20-23-15(5)22-19-18(14(4)24-26(19)20)16-9-10-17(27-6)21-13(16)3/h9-10H,7-8,11-12H2,1-6H3
InChIKeyXPHKPHLBNPVQLG-UHFFFAOYSA-N
XLogP3.75
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618226) is 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is XPHKPHLBNPVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-7-11-25(12-8-2)20-23-15(5)22-19-18(14(4)24-26(19)20)16-9-10-17(27-6)21-13(16)3/h9-10H,7-8,11-12H2,1-6H3.
What are the key properties of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).