4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C21H19N9O3 — CID 137314393

IUPAC4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(Oc4ccc(C5=NCCN5)cc4)nc23)[nH]1
InChIInChI=1S/C21H19N9O3/c31-18-15(26-20(32)28-18)9-12-10-24-30-17(12)27-21(29-19(30)25-13-3-4-13)33-14-5-1-11(2-6-14)16-22-7-8-23-16/h1-2,5-6,9-10,13,31H,3-4,7-8H2,(H,22,23)(H2,26,28,32)/b12-9+,25-19+
InChIKeyGLJNAEHITOXJBU-LHXAJHDYSA-N
MW445.44 g/mol
LogP-0.40
Rot. Bonds5

About 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137314393) has the molecular formula C21H19N9O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137314393
Molecular FormulaC21H19N9O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(Oc4ccc(C5=NCCN5)cc4)nc23)[nH]1
InChIInChI=1S/C21H19N9O3/c31-18-15(26-20(32)28-18)9-12-10-24-30-17(12)27-21(29-19(30)25-13-3-4-13)33-14-5-1-11(2-6-14)16-22-7-8-23-16/h1-2,5-6,9-10,13,31H,3-4,7-8H2,(H,22,23)(H2,26,28,32)/b12-9+,25-19+
InChIKeyGLJNAEHITOXJBU-LHXAJHDYSA-N
XLogP-0.40
TPSA157.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137314393) is 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(Oc4ccc(C5=NCCN5)cc4)nc23)[nH]1.
What is the InChIKey of 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is GLJNAEHITOXJBU-LHXAJHDYSA-N. The full InChI is InChI=1S/C21H19N9O3/c31-18-15(26-20(32)28-18)9-12-10-24-30-17(12)27-21(29-19(30)25-13-3-4-13)33-14-5-1-11(2-6-14)16-22-7-8-23-16/h1-2,5-6,9-10,13,31H,3-4,7-8H2,(H,22,23)(H2,26,28,32)/b12-9+,25-19+.
What are the key properties of 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 445.44 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137314393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).