8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C14H15N5O2 — CID 135879804

IUPAC8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCOc1ccc(-c2c(C)nn3c(=O)[nH]c(C)nc23)c(C)n1
InChIInChI=1S/C14H15N5O2/c1-7-10(5-6-11(15-7)21-4)12-8(2)18-19-13(12)16-9(3)17-14(19)20/h5-6H,1-4H3,(H,16,17,20)
InChIKeyAKVTYQJJYYHVBD-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.41
Rot. Bonds2

About 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135879804) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135879804
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCOc1ccc(-c2c(C)nn3c(=O)[nH]c(C)nc23)c(C)n1
InChIInChI=1S/C14H15N5O2/c1-7-10(5-6-11(15-7)21-4)12-8(2)18-19-13(12)16-9(3)17-14(19)20/h5-6H,1-4H3,(H,16,17,20)
InChIKeyAKVTYQJJYYHVBD-UHFFFAOYSA-N
XLogP1.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135879804) is 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is COc1ccc(-c2c(C)nn3c(=O)[nH]c(C)nc23)c(C)n1.
What is the InChIKey of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is AKVTYQJJYYHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-7-10(5-6-11(15-7)21-4)12-8(2)18-19-13(12)16-9(3)17-14(19)20/h5-6H,1-4H3,(H,16,17,20).
What are the key properties of 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 285.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135879804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).