6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane

C19H20N8O4 — CID 160611432

IUPAC6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane
SMILESC.O=c1cccc(COc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)[nH]1
InChIInChI=1S/C18H16N8O4.CH4/c27-13-3-1-2-11(20-13)8-30-18-23-14-9(6-12-15(28)24-17(29)22-12)7-19-26(14)16(25-18)21-10-4-5-10;/h1-3,6-7,10,28H,4-5,8H2,(H,20,27)(H2,22,24,29);1H4/b9-6?,21-16+;
InChIKeyFMLHFODMSKLSFU-KDQPAOPLSA-N
MW424.42 g/mol
LogP-0.64
Rot. Bonds5

About 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane

6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane (PubChem CID 160611432) has the molecular formula C19H20N8O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane.

Molecular Properties

Compound Name6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane
PubChem CID160611432
Molecular FormulaC19H20N8O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane
SMILESC.O=c1cccc(COc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)[nH]1
InChIInChI=1S/C18H16N8O4.CH4/c27-13-3-1-2-11(20-13)8-30-18-23-14-9(6-12-15(28)24-17(29)22-12)7-19-26(14)16(25-18)21-10-4-5-10;/h1-3,6-7,10,28H,4-5,8H2,(H,20,27)(H2,22,24,29);1H4/b9-6?,21-16+;
InChIKeyFMLHFODMSKLSFU-KDQPAOPLSA-N
XLogP-0.64
TPSA166.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane?
The IUPAC name of 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane (CID 160611432) is 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane.
What is the SMILES notation for 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane?
The canonical SMILES for 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane is C.O=c1cccc(COc2n/c(=N\C3CC3)n3ncc(=Cc4[nH]c(=O)[nH]c4O)c3n2)[nH]1.
What is the InChIKey of 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane?
The InChIKey is FMLHFODMSKLSFU-KDQPAOPLSA-N. The full InChI is InChI=1S/C18H16N8O4.CH4/c27-13-3-1-2-11(20-13)8-30-18-23-14-9(6-12-15(28)24-17(29)22-12)7-19-26(14)16(25-18)21-10-4-5-10;/h1-3,6-7,10,28H,4-5,8H2,(H,20,27)(H2,22,24,29);1H4/b9-6?,21-16+;.
What are the key properties of 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane?
6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane has a molecular weight of 424.42 g/mol, XLogP of -0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane is sourced from PubChem (CID 160611432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).