5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one

C17H15N5O — CID 25010704

IUPAC5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one
SMILESCc1cccc(-n2c(-c3ccc4ncnn4c3)c(C)[nH]c2=O)c1
InChIInChI=1S/C17H15N5O/c1-11-4-3-5-14(8-11)22-16(12(2)20-17(22)23)13-6-7-15-18-10-19-21(15)9-13/h3-10H,1-2H3,(H,20,23)
InChIKeyPGNGEFVPVWIWHS-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.49
Rot. Bonds2

About 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one

5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one (PubChem CID 25010704) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one
PubChem CID25010704
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one
SMILESCc1cccc(-n2c(-c3ccc4ncnn4c3)c(C)[nH]c2=O)c1
InChIInChI=1S/C17H15N5O/c1-11-4-3-5-14(8-11)22-16(12(2)20-17(22)23)13-6-7-15-18-10-19-21(15)9-13/h3-10H,1-2H3,(H,20,23)
InChIKeyPGNGEFVPVWIWHS-UHFFFAOYSA-N
XLogP2.49
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one?
The IUPAC name of 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one (CID 25010704) is 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one.
What is the SMILES notation for 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one?
The canonical SMILES for 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one is Cc1cccc(-n2c(-c3ccc4ncnn4c3)c(C)[nH]c2=O)c1.
What is the InChIKey of 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one?
The InChIKey is PGNGEFVPVWIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-4-3-5-14(8-11)22-16(12(2)20-17(22)23)13-6-7-15-18-10-19-21(15)9-13/h3-10H,1-2H3,(H,20,23).
What are the key properties of 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one?
5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one has a molecular weight of 305.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylphenyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-one is sourced from PubChem (CID 25010704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).