3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile

C19H18N8O — CID 59029154

IUPAC3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile
SMILESCN(Cc1nnc(C2=CC(C#N)CC=C2)o1)c1nnc(-c2ccncc2)n1C
InChIInChI=1S/C19H18N8O/c1-26(19-25-23-17(27(19)2)14-6-8-21-9-7-14)12-16-22-24-18(28-16)15-5-3-4-13(10-15)11-20/h3,5-10,13H,4,12H2,1-2H3
InChIKeyKIGYMMHGTSBWHC-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.38
Rot. Bonds5

About 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile

3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 59029154) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile
PubChem CID59029154
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile
SMILESCN(Cc1nnc(C2=CC(C#N)CC=C2)o1)c1nnc(-c2ccncc2)n1C
InChIInChI=1S/C19H18N8O/c1-26(19-25-23-17(27(19)2)14-6-8-21-9-7-14)12-16-22-24-18(28-16)15-5-3-4-13(10-15)11-20/h3,5-10,13H,4,12H2,1-2H3
InChIKeyKIGYMMHGTSBWHC-UHFFFAOYSA-N
XLogP2.38
TPSA109.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile (CID 59029154) is 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile is CN(Cc1nnc(C2=CC(C#N)CC=C2)o1)c1nnc(-c2ccncc2)n1C.
What is the InChIKey of 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is KIGYMMHGTSBWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-26(19-25-23-17(27(19)2)14-6-8-21-9-7-14)12-16-22-24-18(28-16)15-5-3-4-13(10-15)11-20/h3,5-10,13H,4,12H2,1-2H3.
What are the key properties of 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile?
3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 374.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[methyl-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)amino]methyl]-1,3,4-oxadiazol-2-yl]cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 59029154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).